data_BATM6GE7O24_publ

_pd_block_id
  2023-01-23T12:36|BATM6GE7O24|Lipina|STADI-P

_audit_creation_method  "from EXP file using GSAS2CIF"
_audit_creation_date                   2023-01-23T12:36
_audit_author_name                     Lipina
_audit_update_record
; 2023-01-23T12:36  Initial CIF as created by GSAS2CIF
;

#=============================================================================
# this information describes the project, paper etc. for the CIF             #
# Acta Cryst. Section C papers and editorial correspondence is generated     #
# from the information in this section                                       #
#                                                                            #
#   (from)   CIF submission form for Rietveld refinements (Acta Cryst. C)    #
#                                                 Version 14 December 1998   #
#=============================================================================
# 1. SUBMISSION DETAILS

_publ_contact_author_name            'Lipina, Olga Andreevna'
_publ_contact_author_address         
'Inst. of Solid State Chemistry UB RAS 91, Pervomaiskaya, Ekaterinburg Russia'
_publ_contact_author_email           'LipinaOlgaA@yandex.ru'
_publ_contact_author_fax             ?
_publ_contact_author_phone           '+7 952 143 0282'

_publ_contact_letter
;
Please consider this CIF for publication. I certify that this contibution is the
original work of those listed as authors; that it has not been published
before (in any language or medium) and is not being considered for publication
elsewhere; that all authors concur with and are aware of the submission; that
all workers involved in the study are listed as authors or given proper credit
in the acknowledgements; that I have obtained permission for and acknowledged
the source of any excerpts from other copyright works; and that to the best of
my knowledge the paper contains no statements which are libellous, unlawful or
in any way actionable. All coauthors have made significant scientific
contributions to the work reported, including the ideas and their execution,
and share responsibility and accountability for the results.
;

_publ_requested_journal              'Dalton Transactions'
_publ_requested_coeditor_name        ?
_publ_requested_category             ?   # Acta C: one of CI/CM/CO/FI/FM/FO

#==============================================================================

# 2. PROCESSING SUMMARY (IUCr Office Use Only)

_journal_data_validation_number      ?

_journal_date_recd_electronic        ?
_journal_date_to_coeditor            ?
_journal_date_from_coeditor          ?
_journal_date_accepted               ?
_journal_date_printers_first         ?
_journal_date_printers_final         ?
_journal_date_proofs_out             ?
_journal_date_proofs_in              ?
_journal_coeditor_name               ?
_journal_coeditor_code               ?
_journal_coeditor_notes
; ?
;
_journal_techeditor_code             ?
_journal_techeditor_notes
; ?
;
_journal_coden_ASTM                  ?
_journal_name_full                   'Dalton Transactions'
_journal_year                        2023
_journal_volume                      ?
_journal_issue                       ?
_journal_page_first                  ?
_journal_page_last                   ?
_journal_paper_category              ?
_journal_suppl_publ_number           ?
_journal_suppl_publ_pages            ?

#==============================================================================

# 3. TITLE AND AUTHOR LIST

_publ_section_title
;
Structural, electronic and optical properties of BaRE6(Ge2O7)2(Ge3O10) (RE = Tm,
Yb, Lu) germanates, BaYb6(Ge2O7)2(Ge3O10):Tm3+ and
BaLu6(Ge2O7)2(Ge3O10):Yb3+,Tm3+ phosphors
;

_publ_section_title_footnote
; ?
;

# The loop structure below should contain the names and addresses of all
# authors, in the required order of publication. Repeat as necessary.

loop_
	_publ_author_name
        _publ_author_footnote
	_publ_author_address

'Lipina, Olga A.'
''
'Inst. of Solid State Chemistry, UB RAS, Pervomaiskaya 91, Ekaterinburg, Russia'

'Surat, Ludmila L.'
''
'Inst. of Solid State Chemistry, UB RAS, Pervomaiskaya 91, Ekaterinburg, Russia'

'Chufarov, Alexander Yu.'
''
'Inst. of Solid State Chemistry, UB RAS, Pervomaiskaya 91, Ekaterinburg, Russia'

'Baklanova, Inna V.'
''
'Inst. of Solid State Chemistry, UB RAS, Pervomaiskaya 91, Ekaterinburg, Russia'

'Enyashin, Andrey N.'
''
'Inst. of Solid State Chemistry, UB RAS, Pervomaiskaya 91, Ekaterinburg, Russia'

'Melkozerova, Marina A.'
''
'Inst. of Solid State Chemistry, UB RAS, Pervomaiskaya 91, Ekaterinburg, Russia'

'Tyutyunnik, Alexander P.'
''
'Inst. of Solid State Chemistry, UB RAS, Pervomaiskaya 91, Ekaterinburg, Russia'

'Zubkov, Vladimir G.'
''
'Inst. of Solid State Chemistry, UB RAS, Pervomaiskaya 91, Ekaterinburg, Russia'

#==============================================================================

# 4. TEXT

_publ_section_synopsis
;  ?
;
_publ_section_abstract
; ?
;
_publ_section_comment
; ?
;
_publ_section_exptl_prep      # Details of the preparation of the sample(s)
                              # should be given here.
; ?
;
_publ_section_exptl_refinement
; ?
;
_publ_section_references
; ?
;
_publ_section_figure_captions
; ?
;
_publ_section_acknowledgements
;
The work was carried out in accordance with the state assignment for the
Institute of Solid State Chemistry of the Ural Branch of the Russian Academy
of Sciences (No. AAAA-A19-119031890025-9).
;

#=============================================================================
# 5. OVERALL REFINEMENT & COMPUTING DETAILS

_refine_special_details
; ?
;
_pd_proc_ls_special_details
; ?
;

# The following items are used to identify the programs used.
_computing_molecular_graphics     'ATOMS V6.3.4 ((c) 2008 by Shape Software)'
_computing_publication_material   ?

_refine_ls_weighting_scheme       ?
_refine_ls_weighting_details      ?
_refine_ls_hydrogen_treatment     ?
_refine_ls_extinction_method      ?
_refine_ls_extinction_coef        ?
_refine_ls_number_constraints     ?

_refine_ls_restrained_S_all       ?
_refine_ls_restrained_S_obs       ?

#==============================================================================
# 6. SAMPLE PREPARATION DATA

# (In the unusual case where multiple samples are used in a single
#  Rietveld study, this information should be moved into the phase
#  blocks)

# The following three fields describe the preparation of the material.
# The cooling rate is in K/min.  The pressure at which the sample was
# prepared is in kPa.  The temperature of preparation is in K.

_pd_prep_cool_rate                ?
_pd_prep_pressure                 ?
_pd_prep_temperature              1623

_pd_char_colour                   white       # use ICDD colour descriptions

_refine_ls_shift/su_max                0.00
_refine_ls_shift/su_mean               0.00
_computing_structure_refinement        GSAS
_refine_ls_number_parameters           110
_refine_ls_goodness_of_fit_all         1.73
_refine_ls_number_restraints           0
_refine_ls_matrix_type                 full
#==============================================================================
# 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA

_pd_char_particle_morphology      ?

_chemical_name_systematic
"Barium hexathulium heptagermanate"
_chemical_name_common             "Barium Thulium Germanate"
_chemical_formula_moiety          "Ge7 O24 Tm6, Ba"
_chemical_formula_structural      "BaTm6(Ge2O7)2(Ge3O10)"
_chemical_formula_analytical      ?
_chemical_melting_point           ?
_chemical_compound_source         ?       # for minerals and
                                          # natural products
_symmetry_space_group_name_Hall   "-P 2yb"

_exptl_crystal_F_000               ?
_exptl_crystal_density_diffrn      6.419
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      "not measured"

_cell_measurement_temperature     298(2)

_cell_special_details
; ?
;

_geom_special_details             ?

# The following item identifies the program(s) used (if appropriate).
_computing_structure_solution
"GSAS (A.C. Larson and R.B. Von Dreele, 2004), EXPGUI (Toby, B.H., 2001)"

#==============================================================================

# 8. Phase information from GSAS




_pd_phase_name                         "BaTm6(Ge2O7)2(Ge3O10)"
_cell_length_a                         5.63967(4)
_cell_length_b                         27.85377(25)
_cell_length_c                         7.01259(6)
_cell_angle_alpha                      90.0
_cell_angle_beta                       106.3444(5)
_cell_angle_gamma                      90.0
_cell_volume                           1057.063(19)
_symmetry_cell_setting                 monoclinic
_symmetry_space_group_name_H-M         "P 1 21/m 1"
loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz
       1 +x,+y,+z 
       2 -x,+y+1/2,-z 
      -1 -x,-y,-z 
      -2 +x,-y+1/2,+z 

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS


loop_
      _atom_site_type_symbol
      _atom_site_label
      _atom_site_fract_x
      _atom_site_fract_y
      _atom_site_fract_z
      _atom_site_occupancy
      _atom_site_thermal_displace_type
      _atom_site_U_iso_or_equiv
      _atom_site_symmetry_multiplicity
Tm
Tm1     0.87495(25)  0.68508(5)   0.25188(20)  1.0        Uiso   0.0232(4)     4
Tm
Tm2     0.21662(26)  0.60063(5)   0.60186(21)  1.0        Uiso   0.0233(4)     4
Tm
Tm3     0.80857(26)  0.54061(6)   0.82162(19)  1.0        Uiso   0.0244(4)     4
Ba
Ba1     0.7128(4)    0.25         0.07181(31)  1.0        Uiso   0.0262(6)     2
Ge
Ge1     0.2723(6)    0.47539(12)  0.6936(4)    1.0        Uiso   0.0251(9)     4
Ge
Ge2     0.3117(5)    0.61248(11)  0.1200(4)    1.0        Uiso   0.0291(9)     4
Ge
Ge3     0.7602(5)    0.66542(11)  0.7346(4)    1.0        Uiso   0.0259(9)     4
Ge
Ge4     0.5532(8)    0.25         0.5447(5)    1.0        Uiso   0.0287(12)    2
O 
O1      0.1031(23)   0.4481(5)    0.4605(18)   1.0        Uiso   0.0171(9)     4
O 
O2      0.4100(24)   0.5293(5)    0.6733(18)   1.0        Uiso   0.0171(9)     4
O 
O3      0.5299(23)   0.4429(4)    0.7969(18)   1.0        Uiso   0.0171(9)     4
O 
O4      0.0933(22)   0.4819(5)    0.8548(19)   1.0        Uiso   0.0171(9)     4
O 
O5      0.4837(25)   0.6600(5)    0.1112(17)   1.0        Uiso   0.0171(9)     4
O 
O6      0.1214(24)   0.5957(5)   -0.1116(19)   1.0        Uiso   0.0171(9)     4
O 
O7      0.1415(22)   0.6248(5)    0.2935(18)   1.0        Uiso   0.0171(9)     4
O 
O8      0.9144(21)   0.6949(5)    0.9491(17)   1.0        Uiso   0.0171(9)     4
O 
O9      0.6170(23)   0.6120(4)    0.7530(17)   1.0        Uiso   0.0171(9)     4
O 
O10     0.9408(25)   0.6655(5)    0.5646(18)   1.0        Uiso   0.0171(9)     4
O 
O11     0.4722(23)   0.7012(5)    0.6210(16)   1.0        Uiso   0.0171(9)     4
O 
O12     0.3351(29)   0.25         0.6876(24)   1.0        Uiso   0.0171(9)     2
O 
O13     0.8621(34)   0.25         0.6910(26)   1.0        Uiso   0.0171(9)     2
 
# If you change Z, be sure to change all 3 of the following
_chemical_formula_sum                  "Ba Ge7 O24 Tm6"
_chemical_formula_weight               2043.04
_cell_formula_units_Z                  2

# MOLECULAR GEOMETRY

loop_
      _geom_bond_atom_site_label_1
      _geom_bond_atom_site_label_2
      _geom_bond_distance
      _geom_bond_site_symmetry_1
      _geom_bond_site_symmetry_2
      _geom_bond_publ_flag
  Tm1       O5               2.259(13)  .      1_555  N
  Tm1       O7               2.218(12)  .      1_655  N
  Tm1       O8               2.213(11)  .      1_554  N
  Tm1       O10              2.188(12)  .      1_555  N
  Tm1       O12              2.266(10)  .      2_656  N
  Tm1       O13              2.301(11)  .      2_756  N
  Tm2       O1               2.200(13)  .     -1_566  N
  Tm2       O2               2.253(13)  .      1_555  N
  Tm2       O6               2.225(12)  .      1_556  N
  Tm2       O7               2.189(12)  .      1_555  N
  Tm2       O9               2.230(13)  .      1_555  N
  Tm2       O10              2.351(14)  .      1_455  N
  Tm3       O1               2.195(11)  .     -1_666  N
  Tm3       O2               2.217(13)  .      1_555  N
  Tm3       O4               2.257(12)  .      1_655  N
  Tm3       O4               2.268(13)  .     -1_667  N
  Tm3       O6               2.285(12)  .      1_656  N
  Tm3       O9               2.250(13)  .      1_555  N
  Ba1       O5               2.890(13)  .      2_645  N
  Ba1       O5               2.890(13)  .     -1_665  N
  Ba1       O8               2.640(12)  .      2_746  N
  Ba1       O8               2.640(12)  .     -1_766  N
  Ba1       O11              2.974(11)  .      2_646  N
  Ba1       O11              2.974(11)  .     -1_666  N
  Ba1       O12              2.927(16)  .      1_554  N
  Ba1       O13              3.017(16)  .      1_554  N
  Ge1       O1               1.812(12)  .      1_555  N
  Ge1       O1               2.985(14)  .     -1_566  N
  Ge1       O2               1.716(13)  .      1_555  N
  Ge1       O3               1.692(13)  .      1_555  N
  Ge1       O4               1.724(12)  .      1_555  N
  Ge2       O3               1.795(13)  .     -1_666  N
  Ge2       O5               1.653(13)  .      1_555  N
  Ge2       O6               1.740(13)  .      1_555  N
  Ge2       O7               1.782(12)  .      1_555  N
  Ge3       O6               2.802(13)  .      1_656  N
  Ge3       O8               1.719(12)  .      1_555  N
  Ge3       O9               1.715(12)  .      1_555  N
  Ge3       O10              1.772(11)  .      1_555  N
  Ge3       O11              1.881(12)  .      1_555  N
  Ge4       O11              1.768(11)  .      2_646  N
  Ge4       O11              1.768(11)  .     -1_666  N
  Ge4       O12              1.792(16)  .      1_555  N
  Ge4       O13              1.756(18)  .      1_555  N
  O1        Tm2              2.200(13)  .     -1_566  N
  O1        Tm3              2.195(11)  .     -1_666  N
  O1        Ge1              1.812(12)  .      1_555  N
  O1        Ge1              2.985(14)  .     -1_566  N
  O1        O2               2.982(19)  .      1_555  N
  O1        O2               2.850(20)  .     -1_566  N
  O1        O3               2.861(18)  .      1_555  N
  O1        O4               2.936(18)  .      1_555  N
  O1        O4               2.922(18)  .     -1_566  N
  O1        O6               2.708(15)  .     -1_565  N
  O1        O9               2.977(18)  .     -1_666  N
  O2        Tm2              2.253(13)  .      1_555  N
  O2        Tm3              2.217(13)  .      1_555  N
  O2        Ge1              1.716(13)  .      1_555  N
  O2        O1               2.982(19)  .      1_555  N
  O2        O1               2.850(20)  .     -1_566  N
  O2        O3               2.584(17)  .      1_555  N
  O2        O4               2.799(18)  .      1_555  N
  O2        O9               2.571(15)  .      1_555  N
  O3        Ge1              1.692(13)  .      1_555  N
  O3        Ge2              1.795(13)  .     -1_666  N
  O3        O1               2.861(18)  .      1_555  N
  O3        O2               2.584(17)  .      1_555  N
  O3        O4               2.824(17)  .      1_555  N
  O3        O5               2.944(18)  .     -1_666  N
  O3        O6               2.729(17)  .     -1_666  N
  O3        O7               2.837(18)  .     -1_666  N
  O4        Tm3              2.257(12)  .      1_455  N
  O4        Tm3              2.268(13)  .     -1_667  N
  O4        Ge1              1.724(12)  .      1_555  N
  O4        O1               2.936(18)  .      1_555  N
  O4        O1               2.922(18)  .     -1_566  N
  O4        O2               2.799(18)  .      1_555  N
  O4        O3               2.824(17)  .      1_555  N
  O4        O4               2.734(25)  .     -1_567  N
  O5        Tm1              2.259(13)  .      1_555  N
  O5        Ba1              2.890(13)  .      2_655  N
  O5        Ge2              1.653(13)  .      1_555  N
  O5        O3               2.944(18)  .     -1_666  N
  O5        O6               2.834(18)  .      1_555  N
  O5        O7               2.777(17)  .      1_555  N
  O5        O12              2.916(15)  .      2_656  N
  O6        Tm2              2.225(12)  .      1_554  N
  O6        Tm3              2.285(12)  .      1_454  N
  O6        Ge2              1.740(13)  .      1_555  N
  O6        Ge3              2.802(13)  .      1_454  N
  O6        O1               2.708(15)  .     -1_565  N
  O6        O3               2.729(17)  .     -1_666  N
  O6        O5               2.834(18)  .      1_555  N
  O6        O7               2.925(17)  .      1_555  N
  O6        O8               3.076(20)  .      1_454  N
  O6        O9               2.772(18)  .      1_454  N
  O6        O10              2.946(17)  .      1_454  N
  O7        Tm1              2.218(12)  .      1_455  N
  O7        Tm2              2.189(12)  .      1_555  N
  O7        Ge2              1.782(12)  .      1_555  N
  O7        O3               2.837(18)  .     -1_666  N
  O7        O5               2.777(17)  .      1_555  N
  O7        O6               2.925(17)  .      1_555  N
  O7        O8               3.090(18)  .      1_454  N
  O7        O10              2.720(17)  .      1_455  N
  O8        Tm1              2.213(11)  .      1_556  N
  O8        Ba1              2.640(12)  .      2_756  N
  O8        Ge3              1.719(12)  .      1_555  N
  O8        O6               3.076(20)  .      1_656  N
  O8        O7               3.090(18)  .      1_656  N
  O8        O8               3.068(28)  .     -2_565  N
  O8        O9               2.957(18)  .      1_555  N
  O8        O10              2.861(16)  .      1_555  N
  O8        O11              2.883(17)  .      1_555  N
  O8        O13              2.919(20)  .      2_757  N
  O9        Tm2              2.230(13)  .      1_555  N
  O9        Tm3              2.250(13)  .      1_555  N
  O9        Ge3              1.715(12)  .      1_555  N
  O9        O1               2.977(18)  .     -1_666  N
  O9        O2               2.571(15)  .      1_555  N
  O9        O6               2.772(18)  .      1_656  N
  O9        O8               2.957(18)  .      1_555  N
  O9        O10              2.943(16)  .      1_555  N
  O9        O11              2.696(16)  .      1_555  N
  O10       Tm1              2.188(12)  .      1_555  N
  O10       Tm2              2.351(14)  .      1_655  N
  O10       Ge3              1.772(11)  .      1_555  N
  O10       O6               2.946(17)  .      1_656  N
  O10       O7               2.720(17)  .      1_655  N
  O10       O8               2.861(16)  .      1_555  N
  O10       O9               2.943(16)  .      1_555  N
  O10       O11              2.952(18)  .      1_555  N
  O10       O11              3.075(19)  .      1_655  N
  O10       O12              3.088(16)  .      2_656  N
  O11       Ba1              2.974(11)  .      2_656  N
  O11       Ge3              1.881(12)  .      1_555  N
  O11       Ge4              1.768(11)  .      2_656  N
  O11       O8               2.883(17)  .      1_555  N
  O11       O9               2.696(16)  .      1_555  N
  O11       O10              3.075(19)  .      1_455  N
  O11       O10              2.952(18)  .      1_555  N
  O11       O11              2.720(25)  .     -2_565  N
  O11       O12              3.006(17)  .      2_656  N
  O11       O13              2.805(20)  .      2_656  N
  O12       Tm1              2.266(10)  .      2_646  N
  O12       Tm1              2.266(10)  .     -1_666  N
  O12       Ba1              2.927(16)  .      1_556  N
  O12       Ge4              1.792(16)  .      1_555  N
  O12       O5               2.916(15)  .      2_646  N
  O12       O5               2.916(15)  .     -1_666  N
  O12       O10              3.088(16)  .      2_646  N
  O12       O10              3.088(16)  .     -1_666  N
  O12       O11              3.006(17)  .      2_646  N
  O12       O11              3.006(17)  .     -1_666  N
  O12       O13              2.674(24)  .      1_455  N
  O12       O13              2.966(24)  .      1_555  N
  O13       Tm1              2.301(11)  .      2_746  N
  O13       Tm1              2.301(11)  .     -1_766  N
  O13       Ba1              3.017(16)  .      1_556  N
  O13       Ge4              1.756(18)  .      1_555  N
  O13       O8               2.919(20)  .      2_747  N
  O13       O8               2.919(20)  .     -1_767  N
  O13       O11              2.805(20)  .      2_646  N
  O13       O11              2.805(20)  .     -1_666  N
  O13       O12              2.966(24)  .      1_555  N
  O13       O12              2.674(24)  .      1_655  N

loop_
      _geom_angle_atom_site_label_1
      _geom_angle_atom_site_label_2
      _geom_angle_atom_site_label_3
      _geom_angle
      _geom_angle_site_symmetry_1
      _geom_angle_site_symmetry_2
      _geom_angle_site_symmetry_3
      _geom_angle_publ_flag
  O5        Tm1       O7                111.5(5)      1_555  .      1_655  N
  O5        Tm1       O8                 88.2(4)      1_555  .      1_554  N
  O5        Tm1       O10               103.3(5)      1_555  .      1_555  N
  O5        Tm1       O12                80.2(5)      1_555  .      2_656  N
  O5        Tm1       O13               145.2(5)      1_555  .      2_756  N
  O7        Tm1       O8                 88.4(4)      1_655  .      1_554  N
  O7        Tm1       O10                76.2(5)      1_655  .      1_555  N
  O7        Tm1       O12               161.9(5)      1_655  .      2_656  N
  O7        Tm1       O13               101.1(4)      1_655  .      2_756  N
  O8        Tm1       O10               163.3(5)      1_554  .      1_555  N
  O8        Tm1       O12               106.3(5)      1_554  .      2_656  N
  O8        Tm1       O13                80.6(5)      1_554  .      2_756  N
  O10       Tm1       O12                87.8(5)      1_555  .      2_656  N
  O10       Tm1       O13                95.8(6)      1_555  .      2_756  N
  O12       Tm1       O13                71.7(5)      2_656  .      2_756  N
  O1        Tm2       O2                 79.6(5)     -1_566  .      1_555  N
  O1        Tm2       O6                 75.5(4)     -1_566  .      1_556  N
  O1        Tm2       O7                 94.2(4)     -1_566  .      1_555  N
  O1        Tm2       O9                147.7(5)     -1_566  .      1_555  N
  O1        Tm2       O10                88.4(5)     -1_566  .      1_455  N
  O2        Tm2       O6                 88.2(4)      1_555  .      1_556  N
  O2        Tm2       O7                115.9(4)      1_555  .      1_555  N
  O2        Tm2       O9                 70.0(4)      1_555  .      1_555  N
  O2        Tm2       O10               165.1(4)      1_555  .      1_455  N
  O6        Tm2       O7                151.9(5)      1_556  .      1_555  N
  O6        Tm2       O9                 92.8(4)      1_556  .      1_555  N
  O6        Tm2       O10                80.1(4)      1_556  .      1_455  N
  O7        Tm2       O9                108.3(4)      1_555  .      1_555  N
  O7        Tm2       O10                73.5(4)      1_555  .      1_455  N
  O9        Tm2       O10               119.6(5)      1_555  .      1_455  N
  O1        Tm3       O2                 93.1(5)     -1_666  .      1_555  N
  O1        Tm3       O4                 82.0(5)     -1_666  .      1_655  N
  O1        Tm3       O4                152.7(5)     -1_666  .     -1_667  N
  O1        Tm3       O6                 74.3(4)     -1_666  .      1_656  N
  O1        Tm3       O9                 84.1(5)     -1_666  .      1_555  N
  O2        Tm3       O4                122.9(5)      1_555  .      1_655  N
  O2        Tm3       O4                111.1(4)      1_555  .     -1_667  N
  O2        Tm3       O6                144.4(5)      1_555  .      1_656  N
  O2        Tm3       O9                 70.3(4)      1_555  .      1_555  N
  O4        Tm3       O4                 74.4(5)      1_655  .     -1_667  N
  O4        Tm3       O6                 88.8(4)      1_655  .      1_656  N
  O4        Tm3       O9                161.3(4)      1_655  .      1_555  N
  O4        Tm3       O6                 91.4(5)     -1_667  .      1_656  N
  O4        Tm3       O9                115.2(4)     -1_667  .      1_555  N
  O6        Tm3       O9                 75.3(5)      1_656  .      1_555  N
  O5        Ba1       O5                120.2(5)      2_645  .     -1_665  N
  O5        Ba1       O8                 71.5(4)      2_645  .      2_746  N
  O5        Ba1       O8              133.72(34)      2_645  .     -1_766  N
  O5        Ba1       O11              75.89(33)      2_645  .      2_646  N
  O5        Ba1       O11             123.31(34)      2_645  .     -1_666  N
  O5        Ba1       O12              60.16(25)      2_645  .      1_554  N
  O5        Ba1       O13              76.98(28)      2_645  .      1_554  N
  O5        Ba1       O8              133.72(34)     -1_665  .      2_746  N
  O5        Ba1       O8                 71.5(4)     -1_665  .     -1_766  N
  O5        Ba1       O11             123.31(34)     -1_665  .      2_646  N
  O5        Ba1       O11              75.89(33)     -1_665  .     -1_666  N
  O5        Ba1       O12              60.16(25)     -1_665  .      1_554  N
  O5        Ba1       O13              76.98(28)     -1_665  .      1_554  N
  O8        Ba1       O8                 71.1(6)      2_746  .     -1_766  N
  O8        Ba1       O11               102.8(4)      2_746  .      2_646  N
  O8        Ba1       O11             138.88(32)      2_746  .     -1_666  N
  O8        Ba1       O12             109.49(34)      2_746  .      1_554  N
  O8        Ba1       O13                61.7(4)      2_746  .      1_554  N
  O8        Ba1       O11             138.88(32)     -1_766  .      2_646  N
  O8        Ba1       O11               102.8(4)     -1_766  .     -1_666  N
  O8        Ba1       O12             109.49(34)     -1_766  .      1_554  N
  O8        Ba1       O13                61.7(4)     -1_766  .      1_554  N
  O11       Ba1       O11                54.4(5)      2_646  .     -1_666  N
  O11       Ba1       O12               110.7(4)      2_646  .      1_554  N
  O11       Ba1       O13             152.03(24)      2_646  .      1_554  N
  O11       Ba1       O12               110.7(4)     -1_666  .      1_554  N
  O11       Ba1       O13             152.03(24)     -1_666  .      1_554  N
  O12       Ba1       O13                59.8(5)      1_554  .      1_554  N
  O1        Ge1       O1                 80.4(6)      1_555  .     -1_566  N
  O1        Ge1       O2                115.4(6)      1_555  .      1_555  N
  O1        Ge1       O3                109.4(6)      1_555  .      1_555  N
  O1        Ge1       O4                112.3(6)      1_555  .      1_555  N
  O1        Ge1       O2                 68.6(5)     -1_566  .      1_555  N
  O1        Ge1       O3                166.8(5)     -1_566  .      1_555  N
  O1        Ge1       O4                 71.1(5)     -1_566  .      1_555  N
  O2        Ge1       O3                 98.6(6)      1_555  .      1_555  N
  O2        Ge1       O4                108.9(6)      1_555  .      1_555  N
  O3        Ge1       O4                111.5(6)      1_555  .      1_555  N
  O3        Ge2       O5                117.2(7)     -1_666  .      1_555  N
  O3        Ge2       O6                101.1(6)     -1_666  .      1_555  N
  O3        Ge2       O7                104.9(6)     -1_666  .      1_555  N
  O5        Ge2       O6                113.3(6)      1_555  .      1_555  N
  O5        Ge2       O7                107.8(6)      1_555  .      1_555  N
  O6        Ge2       O7                112.3(6)      1_555  .      1_555  N
  O6        Ge3       O8                 82.0(5)      1_656  .      1_555  N
  O6        Ge3       O9                 71.1(5)      1_656  .      1_555  N
  O6        Ge3       O10                76.5(5)      1_656  .      1_555  N
  O6        Ge3       O11               167.9(5)      1_656  .      1_555  N
  O8        Ge3       O9                118.8(6)      1_555  .      1_555  N
  O8        Ge3       O10               110.0(6)      1_555  .      1_555  N
  O8        Ge3       O11               106.3(6)      1_555  .      1_555  N
  O9        Ge3       O10               115.1(6)      1_555  .      1_555  N
  O9        Ge3       O11                97.0(6)      1_555  .      1_555  N
  O10       Ge3       O11               107.8(6)      1_555  .      1_555  N
  O11       Ge4       O11               100.5(8)      2_646  .     -1_666  N
  O11       Ge4       O12               115.2(5)      2_646  .      1_555  N
  O11       Ge4       O13               105.5(5)      2_646  .      1_555  N
  O11       Ge4       O12               115.2(5)     -1_666  .      1_555  N
  O11       Ge4       O13               105.5(5)     -1_666  .      1_555  N
  O12       Ge4       O13               113.4(7)      1_555  .      1_555  N
  Tm2       O1        Tm3               106.9(5)     -1_566  .     -1_666  N
  Tm2       O1        Ge1               129.2(6)     -1_566  .      1_555  N
  Tm2       O1        Ge1                84.9(4)     -1_566  .     -1_566  N
  Tm2       O1        O2                153.6(6)     -1_566  .      1_555  N
  Tm2       O1        O2                 51.0(4)     -1_566  .     -1_566  N
  Tm2       O1        O3                125.8(6)     -1_566  .      1_555  N
  Tm2       O1        O4                 98.8(5)     -1_566  .      1_555  N
  Tm2       O1        O4                 98.4(5)     -1_566  .     -1_566  N
  Tm2       O1        O6                 52.7(4)     -1_566  .     -1_565  N
  Tm2       O1        O9                 94.3(5)     -1_566  .     -1_666  N
  Tm3       O1        Ge1               123.9(7)     -1_666  .      1_555  N
  Tm3       O1        Ge1                83.6(4)     -1_666  .     -1_566  N
  Tm3       O1        O2                 95.4(5)     -1_666  .      1_555  N
  Tm3       O1        O2                 98.0(5)     -1_666  .     -1_566  N
  Tm3       O1        O3                113.5(5)     -1_666  .      1_555  N
  Tm3       O1        O4                150.7(7)     -1_666  .      1_555  N
  Tm3       O1        O4                 49.9(4)     -1_666  .     -1_566  N
  Tm3       O1        O6                 54.3(4)     -1_666  .     -1_565  N
  Tm3       O1        O9               48.73(34)     -1_666  .     -1_666  N
  Ge1       O1        Ge1                99.6(6)      1_555  .     -1_566  N
  Ge1       O1        O2               31.31(33)      1_555  .      1_555  N
  Ge1       O1        O2                115.6(7)      1_555  .     -1_566  N
  Ge1       O1        O3               33.91(34)      1_555  .      1_555  N
  Ge1       O1        O4               32.91(34)      1_555  .      1_555  N
  Ge1       O1        O4                113.2(7)      1_555  .     -1_566  N
  Ge1       O1        O6                176.2(7)      1_555  .     -1_565  N
  Ge1       O1        O9                118.1(7)      1_555  .     -1_666  N
  Ge1       O1        O2                 83.8(4)     -1_566  .      1_555  N
  Ge1       O1        O2               34.10(28)     -1_566  .     -1_566  N
  Ge1       O1        O3                132.9(6)     -1_566  .      1_555  N
  Ge1       O1        O4                 85.0(4)     -1_566  .      1_555  N
  Ge1       O1        O4               33.92(27)     -1_566  .     -1_566  N
  Ge1       O1        O6                 83.7(4)     -1_566  .     -1_565  N
  Ge1       O1        O9                129.9(5)     -1_566  .     -1_666  N
  O2        O1        O2                112.9(5)      1_555  .     -1_566  N
  O2        O1        O3                 52.4(4)      1_555  .      1_555  N
  O2        O1        O4                 56.4(4)      1_555  .      1_555  N
  O2        O1        O4                 85.1(5)      1_555  .     -1_566  N
  O2        O1        O6                148.4(6)      1_555  .     -1_565  N
  O2        O1        O9                111.3(5)      1_555  .     -1_666  N
  O2        O1        O3                145.4(5)     -1_566  .      1_555  N
  O2        O1        O4                 87.3(5)     -1_566  .      1_555  N
  O2        O1        O4                 58.0(4)     -1_566  .     -1_566  N
  O2        O1        O6                 68.2(4)     -1_566  .     -1_565  N
  O2        O1        O9                126.3(6)     -1_566  .     -1_666  N
  O3        O1        O4                 58.3(4)      1_555  .      1_555  N
  O3        O1        O4                135.2(6)      1_555  .     -1_566  N
  O3        O1        O6                142.5(6)      1_555  .     -1_565  N
  O3        O1        O9                 86.8(5)      1_555  .     -1_666  N
  O4        O1        O4                113.2(5)      1_555  .     -1_566  N
  O4        O1        O6                150.2(6)      1_555  .     -1_565  N
  O4        O1        O9                143.8(6)      1_555  .     -1_666  N
  O4        O1        O6                 68.6(4)     -1_566  .     -1_565  N
  O4        O1        O9                 97.8(5)     -1_566  .     -1_666  N
  O6        O1        O9                 58.1(4)     -1_565  .     -1_666  N
  Tm2       O2        Tm3               110.0(6)      1_555  .      1_555  N
  Tm2       O2        Ge1               126.0(7)      1_555  .      1_555  N
  Tm2       O2        O1                112.4(5)      1_555  .      1_555  N
  Tm2       O2        O1                 49.4(4)      1_555  .     -1_566  N
  Tm2       O2        O3                163.8(6)      1_555  .      1_555  N
  Tm2       O2        O4                100.7(5)      1_555  .      1_555  N
  Tm2       O2        O9                 54.6(4)      1_555  .      1_555  N
  Tm3       O2        Ge1               120.5(7)      1_555  .      1_555  N
  Tm3       O2        O1                135.3(6)      1_555  .      1_555  N
  Tm3       O2        O1                157.6(6)      1_555  .     -1_566  N
  Tm3       O2        O3                 80.8(5)      1_555  .      1_555  N
  Tm3       O2        O4                123.1(6)      1_555  .      1_555  N
  Tm3       O2        O9                 55.5(4)      1_555  .      1_555  N
  Ge1       O2        O1                 33.3(4)      1_555  .      1_555  N
  Ge1       O2        O1                 77.3(5)      1_555  .     -1_566  N
  Ge1       O2        O3                 40.3(4)      1_555  .      1_555  N
  Ge1       O2        O4                 35.6(4)      1_555  .      1_555  N
  Ge1       O2        O9                162.7(6)      1_555  .      1_555  N
  O1        O2        O1                 67.1(5)      1_555  .     -1_566  N
  O1        O2        O3                 61.4(5)      1_555  .      1_555  N
  O1        O2        O4                 61.0(4)      1_555  .      1_555  N
  O1        O2        O9                162.3(6)      1_555  .      1_555  N
  O1        O2        O3                117.5(6)     -1_566  .      1_555  N
  O1        O2        O4                 62.3(4)     -1_566  .      1_555  N
  O1        O2        O9                103.3(5)     -1_566  .      1_555  N
  O3        O2        O4                 63.1(5)      1_555  .      1_555  N
  O3        O2        O9                134.6(6)      1_555  .      1_555  N
  O4        O2        O9                129.2(6)      1_555  .      1_555  N
  Ge1       O3        Ge2               152.6(8)      1_555  .     -1_666  N
  Ge1       O3        O1                 36.7(4)      1_555  .      1_555  N
  Ge1       O3        O2                 41.0(4)      1_555  .      1_555  N
  Ge1       O3        O4                 34.6(4)      1_555  .      1_555  N
  Ge1       O3        O5                122.9(6)      1_555  .     -1_666  N
  Ge1       O3        O6                153.3(6)      1_555  .     -1_666  N
  Ge1       O3        O7                142.8(7)      1_555  .     -1_666  N
  Ge2       O3        O1                122.5(6)     -1_666  .      1_555  N
  Ge2       O3        O2                165.6(7)     -1_666  .      1_555  N
  Ge2       O3        O4                131.2(6)     -1_666  .      1_555  N
  Ge2       O3        O5                 30.0(4)     -1_666  .     -1_666  N
  Ge2       O3        O6                 38.7(4)     -1_666  .     -1_666  N
  Ge2       O3        O7                 37.4(4)     -1_666  .     -1_666  N
  O1        O3        O2                 66.2(5)      1_555  .      1_555  N
  O1        O3        O4                 62.2(5)      1_555  .      1_555  N
  O1        O3        O5                 99.3(5)      1_555  .     -1_666  N
  O1        O3        O6                159.1(7)      1_555  .     -1_666  N
  O1        O3        O7                107.5(5)      1_555  .     -1_666  N
  O2        O3        O4                 62.1(5)      1_555  .      1_555  N
  O2        O3        O5                163.8(6)      1_555  .     -1_666  N
  O2        O3        O6                134.3(6)      1_555  .     -1_666  N
  O2        O3        O7                132.1(5)      1_555  .     -1_666  N
  O4        O3        O5                105.4(5)      1_555  .     -1_666  N
  O4        O3        O6                119.6(5)      1_555  .     -1_666  N
  O4        O3        O7                159.9(6)      1_555  .     -1_666  N
  O5        O3        O6                 59.8(5)     -1_666  .     -1_666  N
  O5        O3        O7                 57.4(4)     -1_666  .     -1_666  N
  O6        O3        O7                 63.4(5)     -1_666  .     -1_666  N
  Tm3       O4        Tm3               105.6(5)      1_455  .     -1_667  N
  Tm3       O4        Ge1               122.7(7)      1_455  .      1_555  N
  Tm3       O4        O1                109.7(5)      1_455  .      1_555  N
  Tm3       O4        O1               48.06(33)      1_455  .     -1_566  N
  Tm3       O4        O2                 97.9(5)      1_455  .      1_555  N
  Tm3       O4        O3                152.6(6)      1_455  .      1_555  N
  Tm3       O4        O4                 53.0(4)      1_455  .     -1_567  N
  Tm3       O4        Ge1               127.1(6)     -1_667  .      1_555  N
  Tm3       O4        O1                142.1(6)     -1_667  .      1_555  N
  Tm3       O4        O1                151.1(6)     -1_667  .     -1_566  N
  Tm3       O4        O2                125.3(6)     -1_667  .      1_555  N
  Tm3       O4        O3                 93.4(5)     -1_667  .      1_555  N
  Tm3       O4        O4                 52.6(4)     -1_667  .     -1_567  N
  Ge1       O4        O1                 34.8(4)      1_555  .      1_555  N
  Ge1       O4        O1                 75.0(5)      1_555  .     -1_566  N
  Ge1       O4        O2                 35.4(4)      1_555  .      1_555  N
  Ge1       O4        O3                 33.9(4)      1_555  .      1_555  N
  Ge1       O4        O4               161.2(10)      1_555  .     -1_567  N
  O1        O4        O1                 66.8(5)      1_555  .     -1_566  N
  O1        O4        O2                 62.6(5)      1_555  .      1_555  N
  O1        O4        O3                 59.5(4)      1_555  .      1_555  N
  O1        O4        O4                158.9(8)      1_555  .     -1_567  N
  O1        O4        O2                 59.7(4)     -1_566  .      1_555  N
  O1        O4        O3                108.0(5)     -1_566  .      1_555  N
  O1        O4        O4                100.1(6)     -1_566  .     -1_567  N
  O2        O4        O3                 54.7(4)      1_555  .      1_555  N
  O2        O4        O4                126.4(9)      1_555  .     -1_567  N
  O3        O4        O4                141.5(7)      1_555  .     -1_567  N
  Tm1       O5        Ba1                97.6(5)      1_555  .      2_655  N
  Tm1       O5        Ge2               137.9(8)      1_555  .      1_555  N
  Tm1       O5        O3                106.7(5)      1_555  .     -1_666  N
  Tm1       O5        O6                154.2(6)      1_555  .      1_555  N
  Tm1       O5        O7                128.9(6)      1_555  .      1_555  N
  Tm1       O5        O12                50.0(4)      1_555  .      2_656  N
  Ba1       O5        Ge2               123.7(7)      2_655  .      1_555  N
  Ba1       O5        O3                155.6(6)      2_655  .     -1_666  N
  Ba1       O5        O6                100.2(5)      2_655  .      1_555  N
  Ba1       O5        O7                106.3(5)      2_655  .      1_555  N
  Ba1       O5        O12                60.5(4)      2_655  .      2_656  N
  Ge2       O5        O3                 32.9(4)      1_555  .     -1_666  N
  Ge2       O5        O6                 34.3(4)      1_555  .      1_555  N
  Ge2       O5        O7                 37.7(4)      1_555  .      1_555  N
  Ge2       O5        O12               143.1(7)      1_555  .      2_656  N
  O3        O5        O6                 56.3(4)     -1_666  .      1_555  N
  O3        O5        O7                 59.4(4)     -1_666  .      1_555  N
  O3        O5        O12               139.3(5)     -1_666  .      2_656  N
  O6        O5        O7                 62.8(5)      1_555  .      1_555  N
  O6        O5        O12               155.6(6)      1_555  .      2_656  N
  O7        O5        O12               106.0(6)      1_555  .      2_656  N
  Tm2       O6        Tm3               103.0(5)      1_554  .      1_454  N
  Tm2       O6        Ge2               125.7(7)      1_554  .      1_555  N
  Tm2       O6        Ge3                86.8(4)      1_554  .      1_454  N
  Tm2       O6        O1                 51.8(4)      1_554  .     -1_565  N
  Tm2       O6        O3                116.9(5)      1_554  .     -1_666  N
  Tm2       O6        O5                 98.0(5)      1_554  .      1_555  N
  Tm2       O6        O7                155.0(6)      1_554  .      1_555  N
  Tm2       O6        O8                105.5(5)      1_554  .      1_454  N
  Tm2       O6        O9                 99.5(5)      1_554  .      1_454  N
  Tm2       O6        O10                51.8(4)      1_554  .      1_454  N
  Tm3       O6        Ge2               127.6(7)      1_454  .      1_555  N
  Tm3       O6        Ge3                87.2(4)      1_454  .      1_454  N
  Tm3       O6        O1               51.31(34)      1_454  .     -1_565  N
  Tm3       O6        O3                103.9(5)      1_454  .     -1_666  N
  Tm3       O6        O5                158.9(6)      1_454  .      1_555  N
  Tm3       O6        O7                101.6(5)      1_454  .      1_555  N
  Tm3       O6        O8                109.3(5)      1_454  .      1_454  N
  Tm3       O6        O9                 51.7(4)      1_454  .      1_454  N
  Tm3       O6        O10               101.9(5)      1_454  .      1_454  N
  Ge2       O6        Ge3               111.3(6)      1_555  .      1_454  N
  Ge2       O6        O1                166.7(6)      1_555  .     -1_565  N
  Ge2       O6        O3                 40.2(4)      1_555  .     -1_666  N
  Ge2       O6        O5               32.41(34)      1_555  .      1_555  N
  Ge2       O6        O7                 34.3(4)      1_555  .      1_555  N
  Ge2       O6        O8                 77.7(5)      1_555  .      1_454  N
  Ge2       O6        O9                125.4(7)      1_555  .      1_454  N
  Ge2       O6        O10               122.0(6)      1_555  .      1_454  N
  Ge3       O6        O1                 81.9(4)      1_454  .     -1_565  N
  Ge3       O6        O3                149.8(6)      1_454  .     -1_666  N
  Ge3       O6        O5                 96.1(5)      1_454  .      1_555  N
  Ge3       O6        O7                 90.4(4)      1_454  .      1_555  N
  Ge3       O6        O8               33.61(25)      1_454  .      1_454  N
  Ge3       O6        O9               35.84(30)      1_454  .      1_454  N
  Ge3       O6        O10              35.81(29)      1_454  .      1_454  N
  O1        O6        O3                126.9(5)     -1_565  .     -1_666  N
  O1        O6        O5                149.8(6)     -1_565  .      1_555  N
  O1        O6        O7                152.0(6)     -1_565  .      1_555  N
  O1        O6        O8                115.5(5)     -1_565  .      1_454  N
  O1        O6        O9                 65.8(4)     -1_565  .      1_454  N
  O1        O6        O10                68.2(4)     -1_565  .      1_454  N
  O3        O6        O5                 63.9(4)     -1_666  .      1_555  N
  O3        O6        O7                 60.1(4)     -1_666  .      1_555  N
  O3        O6        O8                117.2(5)     -1_666  .      1_454  N
  O3        O6        O9                141.1(6)     -1_666  .      1_454  N
  O3        O6        O10               153.8(6)     -1_666  .      1_454  N
  O5        O6        O7                 57.6(4)      1_555  .      1_555  N
  O5        O6        O8                 66.3(5)      1_555  .      1_454  N
  O5        O6        O9                126.6(6)      1_555  .      1_454  N
  O5        O6        O10                92.7(5)      1_555  .      1_454  N
  O7        O6        O8                 61.9(4)      1_555  .      1_454  N
  O7        O6        O9                 92.5(5)      1_555  .      1_454  N
  O7        O6        O10               118.4(5)      1_555  .      1_454  N
  O8        O6        O9                 60.5(4)      1_454  .      1_454  N
  O8        O6        O10                56.7(4)      1_454  .      1_454  N
  O9        O6        O10                61.9(4)      1_454  .      1_454  N
  Tm1       O7        Tm2               107.3(5)      1_455  .      1_555  N
  Tm1       O7        Ge2               122.1(6)      1_455  .      1_555  N
  Tm1       O7        O3                159.2(6)      1_455  .     -1_666  N
  Tm1       O7        O5                101.8(5)      1_455  .      1_555  N
  Tm1       O7        O6                104.0(5)      1_455  .      1_555  N
  Tm1       O7        O8               45.73(29)      1_455  .      1_454  N
  Tm1       O7        O10                51.4(4)      1_455  .      1_455  N
  Tm2       O7        Ge2               128.6(6)      1_555  .      1_555  N
  Tm2       O7        O3                 93.4(5)      1_555  .     -1_666  N
  Tm2       O7        O5                126.6(6)      1_555  .      1_555  N
  Tm2       O7        O6                144.9(6)      1_555  .      1_555  N
  Tm2       O7        O8                152.7(6)      1_555  .      1_454  N
  Tm2       O7        O10                56.0(4)      1_555  .      1_455  N
  Ge2       O7        O3               37.69(35)      1_555  .     -1_666  N
  Ge2       O7        O5                 34.5(4)      1_555  .      1_555  N
  Ge2       O7        O6                 33.4(4)      1_555  .      1_555  N
  Ge2       O7        O8                 76.8(5)      1_555  .      1_454  N
  Ge2       O7        O10               165.4(7)      1_555  .      1_455  N
  O3        O7        O5                 63.2(5)     -1_666  .      1_555  N
  O3        O7        O6                 56.5(4)     -1_666  .      1_555  N
  O3        O7        O8                113.5(5)     -1_666  .      1_454  N
  O3        O7        O10               149.3(6)     -1_666  .      1_455  N
  O5        O7        O6                 59.5(4)      1_555  .      1_555  N
  O5        O7        O8                 66.8(4)      1_555  .      1_454  N
  O5        O7        O10               130.8(6)      1_555  .      1_455  N
  O6        O7        O8                 61.4(5)      1_555  .      1_454  N
  O6        O7        O10               152.2(6)      1_555  .      1_455  N
  O8        O7        O10                96.9(5)      1_454  .      1_455  N
  Tm1       O8        Ba1               114.9(5)      1_556  .      2_756  N
  Tm1       O8        Ge3               128.1(7)      1_556  .      1_555  N
  Tm1       O8        O6                 99.6(5)      1_556  .      1_656  N
  Tm1       O8        O7               45.85(32)      1_556  .      1_656  N
  Tm1       O8        O8                 97.1(4)      1_556  .     -2_575  N
  Tm1       O8        O9                 98.8(5)      1_556  .      1_555  N
  Tm1       O8        O10               156.1(6)      1_556  .      1_555  N
  Tm1       O8        O11               118.4(5)      1_556  .      1_555  N
  Tm1       O8        O13                51.0(4)      1_556  .      2_757  N
  Ba1       O8        Ge3               116.3(5)      2_756  .      1_555  N
  Ba1       O8        O6                100.1(4)      2_756  .      1_656  N
  Ba1       O8        O7                104.4(4)      2_756  .      1_656  N
  Ba1       O8        O8               54.47(28)      2_756  .     -2_575  N
  Ba1       O8        O9                141.7(5)      2_756  .      1_555  N
  Ba1       O8        O10                82.0(4)      2_756  .      1_555  N
  Ba1       O8        O11               116.4(5)      2_756  .      1_555  N
  Ba1       O8        O13                65.5(4)      2_756  .      2_757  N
  Ge3       O8        O6                 64.4(5)      1_555  .      1_656  N
  Ge3       O8        O7                112.2(7)      1_555  .      1_656  N
  Ge3       O8        O8                118.5(5)      1_555  .     -2_575  N
  Ge3       O8        O9               30.55(35)      1_555  .      1_555  N
  Ge3       O8        O10                35.6(4)      1_555  .      1_555  N
  Ge3       O8        O11                38.7(4)      1_555  .      1_555  N
  Ge3       O8        O13               175.1(7)      1_555  .      2_757  N
  O6        O8        O7                 56.6(4)      1_656  .      1_656  N
  O6        O8        O8              153.96(30)      1_656  .     -2_575  N
  O6        O8        O9                 54.7(4)      1_656  .      1_555  N
  O6        O8        O10                59.4(4)      1_656  .      1_555  N
  O6        O8        O11               102.7(5)      1_656  .      1_555  N
  O6        O8        O13               120.2(5)      1_656  .      2_757  N
  O7        O8        O8                129.2(4)      1_656  .     -2_575  N
  O7        O8        O9                 85.7(5)      1_656  .      1_555  N
  O7        O8        O10               115.8(5)      1_656  .      1_555  N
  O7        O8        O11               137.5(6)      1_656  .      1_555  N
  O7        O8        O13                70.9(4)      1_656  .      2_757  N
  O8        O8        O9              141.37(35)     -2_575  .      1_555  N
  O8        O8        O10             106.61(33)     -2_575  .      1_555  N
  O8        O8        O11                86.5(4)     -2_575  .      1_555  N
  O8        O8        O13              58.29(32)     -2_575  .      2_757  N
  O9        O8        O10                60.7(4)      1_555  .      1_555  N
  O9        O8        O11                55.0(4)      1_555  .      1_555  N
  O9        O8        O13               149.7(5)      1_555  .      2_757  N
  O10       O8        O11                61.8(4)      1_555  .      1_555  N
  O10       O8        O13               147.2(6)      1_555  .      2_757  N
  O11       O8        O13               136.4(6)      1_555  .      2_757  N
  Tm2       O9        Tm3               109.7(5)      1_555  .      1_555  N
  Tm2       O9        Ge3               121.5(7)      1_555  .      1_555  N
  Tm2       O9        O1                106.9(5)      1_555  .     -1_666  N
  Tm2       O9        O2                 55.4(4)      1_555  .      1_555  N
  Tm2       O9        O6                160.7(6)      1_555  .      1_656  N
  Tm2       O9        O8                134.3(6)      1_555  .      1_555  N
  Tm2       O9        O10               122.1(6)      1_555  .      1_555  N
  Tm2       O9        O11                78.4(5)      1_555  .      1_555  N
  Tm3       O9        Ge3               125.1(7)      1_555  .      1_555  N
  Tm3       O9        O1               47.17(33)      1_555  .     -1_666  N
  Tm3       O9        O2                 54.3(4)      1_555  .      1_555  N
  Tm3       O9        O6                 52.9(4)      1_555  .      1_656  N
  Tm3       O9        O8                114.6(5)      1_555  .      1_555  N
  Tm3       O9        O10               102.9(5)      1_555  .      1_555  N
  Tm3       O9        O11               165.6(6)      1_555  .      1_555  N
  Ge3       O9        O1                 97.0(5)      1_555  .     -1_666  N
  Ge3       O9        O2                162.8(6)      1_555  .      1_555  N
  Ge3       O9        O6                 73.0(5)      1_555  .      1_656  N
  Ge3       O9        O8                 30.6(4)      1_555  .      1_555  N
  Ge3       O9        O10              33.06(33)      1_555  .      1_555  N
  Ge3       O9        O11                43.8(4)      1_555  .      1_555  N
  O1        O9        O2                 70.1(5)     -1_666  .      1_555  N
  O1        O9        O6                 56.1(4)     -1_666  .      1_656  N
  O1        O9        O8                111.2(5)     -1_666  .      1_555  N
  O1        O9        O10                64.9(4)     -1_666  .      1_555  N
  O1        O9        O11               119.8(5)     -1_666  .      1_555  N
  O2        O9        O6                106.7(5)      1_555  .      1_656  N
  O2        O9        O8                164.6(6)      1_555  .      1_555  N
  O2        O9        O10               131.1(5)      1_555  .      1_555  N
  O2        O9        O11               132.5(6)      1_555  .      1_555  N
  O6        O9        O8                 64.9(4)      1_656  .      1_555  N
  O6        O9        O10                62.0(4)      1_656  .      1_555  N
  O6        O9        O11               116.8(6)      1_656  .      1_555  N
  O8        O9        O10                58.0(4)      1_555  .      1_555  N
  O8        O9        O11                61.1(5)      1_555  .      1_555  N
  O10       O9        O11                63.0(5)      1_555  .      1_555  N
  Tm1       O10       Tm2               102.9(5)      1_555  .      1_655  N
  Tm1       O10       Ge3               135.0(7)      1_555  .      1_555  N
  Tm1       O10       O6                149.5(6)      1_555  .      1_656  N
  Tm1       O10       O7                 52.4(4)      1_555  .      1_655  N
  Tm1       O10       O8                146.6(6)      1_555  .      1_555  N
  Tm1       O10       O9                128.6(6)      1_555  .      1_555  N
  Tm1       O10       O11                98.3(5)      1_555  .      1_555  N
  Tm1       O10       O11                86.2(4)      1_555  .      1_655  N
  Tm1       O10       O12                47.2(4)      1_555  .      2_656  N
  Tm2       O10       Ge3               114.3(6)      1_655  .      1_555  N
  Tm2       O10       O6               48.08(33)      1_655  .      1_656  N
  Tm2       O10       O7               50.52(34)      1_655  .      1_655  N
  Tm2       O10       O8                108.9(5)      1_655  .      1_555  N
  Tm2       O10       O9                 92.0(5)      1_655  .      1_555  N
  Tm2       O10       O11               146.4(6)      1_655  .      1_555  N
  Tm2       O10       O11                69.1(4)      1_655  .      1_655  N
  Tm2       O10       O12               149.4(6)      1_655  .      2_656  N
  Ge3       O10       O6                 67.7(4)      1_555  .      1_656  N
  Ge3       O10       O7                154.2(7)      1_555  .      1_655  N
  Ge3       O10       O8               34.37(34)      1_555  .      1_555  N
  Ge3       O10       O9               31.86(34)      1_555  .      1_555  N
  Ge3       O10       O11                37.4(4)      1_555  .      1_555  N
  Ge3       O10       O11               129.6(6)      1_555  .      1_655  N
  Ge3       O10       O12                95.4(6)      1_555  .      2_656  N
  O6        O10       O7                 98.1(5)      1_656  .      1_655  N
  O6        O10       O8                 64.0(4)      1_656  .      1_555  N
  O6        O10       O9                 56.2(4)      1_656  .      1_555  N
  O6        O10       O11               104.3(5)      1_656  .      1_555  N
  O6        O10       O11                90.0(5)      1_656  .      1_655  N
  O6        O10       O12               162.6(6)      1_656  .      2_656  N
  O7        O10       O8                157.0(6)      1_655  .      1_555  N
  O7        O10       O9                122.3(6)      1_655  .      1_555  N
  O7        O10       O11               143.0(6)      1_655  .      1_555  N
  O7        O10       O11                69.0(4)      1_655  .      1_655  N
  O7        O10       O12                99.2(6)      1_655  .      2_656  N
  O8        O10       O9                 61.2(4)      1_555  .      1_555  N
  O8        O10       O11                59.5(4)      1_555  .      1_555  N
  O8        O10       O11                95.4(5)      1_555  .      1_655  N
  O8        O10       O12                99.8(5)      1_555  .      2_656  N
  O9        O10       O11                54.4(4)      1_555  .      1_555  N
  O9        O10       O11               144.2(6)      1_555  .      1_655  N
  O9        O10       O12               111.5(6)      1_555  .      2_656  N
  O11       O10       O11               138.7(6)      1_555  .      1_655  N
  O11       O10       O12                59.7(4)      1_555  .      2_656  N
  O11       O10       O12                98.3(5)      1_655  .      2_656  N
  Ba1       O11       Ge3               111.9(5)      2_656  .      1_555  N
  Ba1       O11       Ge4                98.3(5)      2_656  .      2_656  N
  Ba1       O11       O8                 81.4(4)      2_656  .      1_555  N
  Ba1       O11       O9                107.9(4)      2_656  .      1_555  N
  Ba1       O11       O10              73.31(34)      2_656  .      1_455  N
  Ba1       O11       O10               139.5(5)      2_656  .      1_555  N
  Ba1       O11       O11              62.78(23)      2_656  .     -2_575  N
  Ba1       O11       O12               125.9(5)      2_656  .      2_656  N
  Ba1       O11       O13                92.7(5)      2_656  .      2_656  N
  Ge3       O11       Ge4               125.9(7)      1_555  .      2_656  N
  Ge3       O11       O8               34.91(34)      1_555  .      1_555  N
  Ge3       O11       O9               39.16(35)      1_555  .      1_555  N
  Ge3       O11       O10               125.3(6)      1_555  .      1_455  N
  Ge3       O11       O10              34.88(31)      1_555  .      1_555  N
  Ge3       O11       O11               122.0(4)      1_555  .     -2_575  N
  Ge3       O11       O12                95.8(5)      1_555  .      2_656  N
  Ge3       O11       O13               153.9(6)      1_555  .      2_656  N
  Ge4       O11       O8                117.6(6)      2_656  .      1_555  N
  Ge4       O11       O9                153.5(7)      2_656  .      1_555  N
  Ge4       O11       O10               105.5(6)      2_656  .      1_455  N
  Ge4       O11       O10                94.6(5)      2_656  .      1_555  N
  Ge4       O11       O11                39.7(4)      2_656  .     -2_575  N
  Ge4       O11       O12              32.62(33)      2_656  .      2_656  N
  Ge4       O11       O13                37.1(4)      2_656  .      2_656  N
  O8        O11       O9                 63.9(5)      1_555  .      1_555  N
  O8        O11       O10               132.5(5)      1_555  .      1_455  N
  O8        O11       O10                58.7(4)      1_555  .      1_555  N
  O8        O11       O11                93.5(4)      1_555  .     -2_575  N
  O8        O11       O12               101.2(5)      1_555  .      2_656  N
  O8        O11       O13               153.1(6)      1_555  .      2_656  N
  O9        O11       O10                86.4(5)      1_555  .      1_455  N
  O9        O11       O10                62.6(4)      1_555  .      1_555  N
  O9        O11       O11               157.1(4)      1_555  .     -2_575  N
  O9        O11       O12               121.9(5)      1_555  .      2_656  N
  O9        O11       O13               141.9(6)      1_555  .      2_656  N
  O10       O11       O10               138.7(6)      1_455  .      1_555  N
  O10       O11       O11             108.83(33)      1_455  .     -2_575  N
  O10       O11       O12               126.2(5)      1_455  .      2_656  N
  O10       O11       O13                68.9(5)      1_455  .      2_656  N
  O10       O11       O11               109.6(4)      1_555  .     -2_575  N
  O10       O11       O12                62.4(4)      1_555  .      2_656  N
  O10       O11       O13               119.3(5)      1_555  .      2_656  N
  O11       O11       O12              63.10(28)     -2_575  .      2_656  N
  O11       O11       O13              61.00(32)     -2_575  .      2_656  N
  O12       O11       O13                61.3(5)      2_656  .      2_656  N
  Tm1       O12       Tm1               105.9(6)      2_646  .     -1_666  N
  Tm1       O12       Ba1                96.4(5)      2_646  .      1_556  N
  Tm1       O12       Ge4               125.6(4)      2_646  .      1_555  N
  Tm1       O12       O5               49.77(31)      2_646  .      2_646  N
  Tm1       O12       O5                136.5(7)      2_646  .     -1_666  N
  Tm1       O12       O10              45.07(26)      2_646  .      2_646  N
  Tm1       O12       O10               120.6(6)      2_646  .     -1_666  N
  Tm1       O12       O11              95.04(35)      2_646  .      2_646  N
  Tm1       O12       O11               144.1(6)      2_646  .     -1_666  N
  Tm1       O12       O13              54.77(34)      2_646  .      1_455  N
  Tm1       O12       O13               125.0(4)      2_646  .      1_555  N
  Tm1       O12       Ba1                96.4(5)     -1_666  .      1_556  N
  Tm1       O12       Ge4               125.6(4)     -1_666  .      1_555  N
  Tm1       O12       O5                136.5(7)     -1_666  .      2_646  N
  Tm1       O12       O5               49.77(31)     -1_666  .     -1_666  N
  Tm1       O12       O10               120.6(6)     -1_666  .      2_646  N
  Tm1       O12       O10              45.07(26)     -1_666  .     -1_666  N
  Tm1       O12       O11               144.1(6)     -1_666  .      2_646  N
  Tm1       O12       O11              95.04(35)     -1_666  .     -1_666  N
  Tm1       O12       O13              54.77(34)     -1_666  .      1_455  N
  Tm1       O12       O13               125.0(4)     -1_666  .      1_555  N
  Ba1       O12       Ge4                94.5(6)      1_556  .      1_555  N
  Ba1       O12       O5                 59.3(4)      1_556  .      2_646  N
  Ba1       O12       O5                 59.3(4)      1_556  .     -1_666  N
  Ba1       O12       O10             130.25(35)      1_556  .      2_646  N
  Ba1       O12       O10             130.25(35)      1_556  .     -1_666  N
  Ba1       O12       O11               110.2(5)      1_556  .      2_646  N
  Ba1       O12       O11               110.2(5)      1_556  .     -1_666  N
  Ba1       O12       O13               117.5(7)      1_556  .      1_455  N
  Ba1       O12       O13                61.6(5)      1_556  .      1_555  N
  Ge4       O12       O5                 93.9(5)      1_555  .      2_646  N
  Ge4       O12       O5                 93.9(5)      1_555  .     -1_666  N
  Ge4       O12       O10                89.7(5)      1_555  .      2_646  N
  Ge4       O12       O10                89.7(5)      1_555  .     -1_666  N
  Ge4       O12       O11              32.15(32)      1_555  .      2_646  N
  Ge4       O12       O11              32.15(32)      1_555  .     -1_666  N
  Ge4       O12       O13               148.1(9)      1_555  .      1_455  N
  Ge4       O12       O13                32.9(4)      1_555  .      1_555  N
  O5        O12       O5                118.5(7)      2_646  .     -1_666  N
  O5        O12       O10              70.97(35)      2_646  .      2_646  N
  O5        O12       O10               169.5(6)      2_646  .     -1_666  N
  O5        O12       O11                79.1(4)      2_646  .      2_646  N
  O5        O12       O11               126.1(6)      2_646  .     -1_666  N
  O5        O12       O13               102.1(5)      2_646  .      1_455  N
  O5        O12       O13                77.4(5)      2_646  .      1_555  N
  O5        O12       O10               169.5(6)     -1_666  .      2_646  N
  O5        O12       O10              70.97(35)     -1_666  .     -1_666  N
  O5        O12       O11               126.1(6)     -1_666  .      2_646  N
  O5        O12       O11                79.1(4)     -1_666  .     -1_666  N
  O5        O12       O13               102.1(5)     -1_666  .      1_455  N
  O5        O12       O13                77.4(5)     -1_666  .      1_555  N
  O10       O12       O10                99.3(7)      2_646  .     -1_666  N
  O10       O12       O11                57.9(4)      2_646  .      2_646  N
  O10       O12       O11                99.1(6)      2_646  .     -1_666  N
  O10       O12       O13                70.3(4)      2_646  .      1_455  N
  O10       O12       O13               110.3(5)      2_646  .      1_555  N
  O10       O12       O11                99.1(6)     -1_666  .      2_646  N
  O10       O12       O11                57.9(4)     -1_666  .     -1_666  N
  O10       O12       O13                70.3(4)     -1_666  .      1_455  N
  O10       O12       O13               110.3(5)     -1_666  .      1_555  N
  O11       O12       O11                53.8(6)      2_646  .     -1_666  N
  O11       O12       O13               124.8(6)      2_646  .      1_455  N
  O11       O12       O13                56.0(4)      2_646  .      1_555  N
  O11       O12       O13               124.8(6)     -1_666  .      1_455  N
  O11       O12       O13                56.0(4)     -1_666  .      1_555  N
  O13       O12       O13              179.1(10)      1_455  .      1_555  N
  Tm1       O13       Tm1               103.6(7)      2_746  .     -1_766  N
  Tm1       O13       Ba1                99.9(5)      2_746  .      1_556  N
  Tm1       O13       Ge4               125.9(4)      2_746  .      1_555  N
  Tm1       O13       O8               48.41(35)      2_746  .      2_747  N
  Tm1       O13       O8                 99.3(7)      2_746  .     -1_767  N
  Tm1       O13       O11                90.8(4)      2_746  .      2_646  N
  Tm1       O13       O11               140.8(7)      2_746  .     -1_666  N
  Tm1       O13       O12               126.6(4)      2_746  .      1_555  N
  Tm1       O13       O12                53.6(4)      2_746  .      1_655  N
  Tm1       O13       Ba1                99.9(5)     -1_766  .      1_556  N
  Tm1       O13       Ge4               125.9(4)     -1_766  .      1_555  N
  Tm1       O13       O8                 99.3(7)     -1_766  .      2_747  N
  Tm1       O13       O8               48.41(35)     -1_766  .     -1_767  N
  Tm1       O13       O11               140.8(7)     -1_766  .      2_646  N
  Tm1       O13       O11                90.8(4)     -1_766  .     -1_666  N
  Tm1       O13       O12               126.6(4)     -1_766  .      1_555  N
  Tm1       O13       O12                53.6(4)     -1_766  .      1_655  N
  Ba1       O13       Ge4                92.2(6)      1_556  .      1_555  N
  Ba1       O13       O8               52.77(35)      1_556  .      2_747  N
  Ba1       O13       O8               52.77(35)      1_556  .     -1_767  N
  Ba1       O13       O11               113.4(5)      1_556  .      2_646  N
  Ba1       O13       O11               113.4(5)      1_556  .     -1_666  N
  Ba1       O13       O12                58.6(4)      1_556  .      1_555  N
  Ba1       O13       O12               122.4(8)      1_556  .      1_655  N
  Ge4       O13       O8                128.4(6)      1_555  .      2_747  N
  Ge4       O13       O8                128.4(6)      1_555  .     -1_767  N
  Ge4       O13       O11                37.4(4)      1_555  .      2_646  N
  Ge4       O13       O11                37.4(4)      1_555  .     -1_666  N
  Ge4       O13       O12                33.7(5)      1_555  .      1_555  N
  Ge4       O13       O12               145.4(9)      1_555  .      1_655  N
  O8        O13       O8                 63.4(6)      2_747  .     -1_767  N
  O8        O13       O11               116.8(4)      2_747  .      2_646  N
  O8        O13       O11               163.9(7)      2_747  .     -1_666  N
  O8        O13       O12               101.2(5)      2_747  .      1_555  N
  O8        O13       O12                79.6(6)      2_747  .      1_655  N
  O8        O13       O11               163.9(7)     -1_767  .      2_646  N
  O8        O13       O11               116.8(4)     -1_767  .     -1_666  N
  O8        O13       O12               101.2(5)     -1_767  .      1_555  N
  O8        O13       O12                79.6(6)     -1_767  .      1_655  N
  O11       O13       O11                58.0(6)      2_646  .     -1_666  N
  O11       O13       O12                62.7(5)      2_646  .      1_555  N
  O11       O13       O12               116.5(6)      2_646  .      1_655  N
  O11       O13       O12                62.7(5)     -1_666  .      1_555  N
  O11       O13       O12               116.5(6)     -1_666  .      1_655  N
  O12       O13       O12              179.0(10)      1_555  .      1_655  N

# Powder diffraction data for histogram  1
#==============================================================================
# 9. INSTRUMENT CHARACTERIZATION

_exptl_special_details
; ?
;

# if regions of the data are excluded, the reason(s) are supplied here:
_pd_proc_info_excluded_regions
; ?
;

# The following item is used to identify the equipment used to record
# the powder pattern when the diffractogram was measured at a laboratory
# other than the authors' home institution, e.g. when neutron or synchrotron
# radiation is used.

_pd_instr_location
; ?
;
_pd_calibration_special_details           # description of the method used
                                          # to calibrate the instrument
"external Si standard"

_diffrn_ambient_temperature       298
_diffrn_source                    "sealed X-ray tube"
_diffrn_source_target             Cu
_diffrn_source_type               "PHILIPS PW 2283/20"
_diffrn_measurement_device_type   "transmission diffractometer Stadi-P (STOE)"
_diffrn_detector                  "position sensitive detector"
_diffrn_detector_type             "linear mini-PSD (STOE)"
       # make or model of detector

_pd_meas_scan_method              step       # options are 'step', 'cont',
                                          # 'tof', 'fixed' or
                                          # 'disp' (= dispersive)
_pd_meas_special_details
;  ?
;

# The following two items identify the program(s) used (if appropriate).
_computing_data_collection
"STOE Powder Software Package (STOE, Germany)"
_computing_data_reduction
"STOE Powder Software Package (STOE, Germany)"

# Describe any processing performed on the data, prior to refinement.
# For example: a manual Lp correction or a precomputed absorption correction
_pd_proc_info_data_reduction      ?

# The following item is used for angular dispersive measurements only.

_diffrn_radiation_monochromator   "Primary, curved Ge 111"

# The following items are used to define the size of the instrument.
# Not all distances are appropriate for all instrument types.

_pd_instr_dist_src/mono           260
_pd_instr_dist_mono/spec          130
_pd_instr_dist_src/spec           ?
_pd_instr_dist_spec/anal          ?
_pd_instr_dist_anal/detc          ?
_pd_instr_dist_spec/detc          220

# 10. Specimen size and mounting information

# The next three fields give the specimen dimensions in mm.  The equatorial
# plane contains the incident and diffracted beam.

_pd_spec_size_axial               7       # perpendicular to
                                          # equatorial plane

_pd_spec_size_equat               0.1       # parallel to
                                          # scattering vector
                                          # in transmission

_pd_spec_size_thick               ?       # parallel to
                                          # scattering vector
                                          # in reflection

_pd_spec_mounting                         # This field should be
                                          # used to give details of the
                                          # container.
"powder on Mylar film"

_pd_spec_mount_mode               transmission       # options are 'reflection'
                                          # or 'transmission'

_pd_spec_shape                    flat_sheet       # options are 'cylinder'
                                          # 'flat_sheet' or 'irregular'







loop_ _atom_type_symbol
      _atom_type_number_in_cell
      _atom_type_scat_dispersion_real
      _atom_type_scat_dispersion_imag
      _atom_type_scat_Cromer_Mann_a1
      _atom_type_scat_Cromer_Mann_a2
      _atom_type_scat_Cromer_Mann_a3
      _atom_type_scat_Cromer_Mann_a4
      _atom_type_scat_Cromer_Mann_b1
      _atom_type_scat_Cromer_Mann_b2
      _atom_type_scat_Cromer_Mann_b3
      _atom_type_scat_Cromer_Mann_b4
      _atom_type_scat_Cromer_Mann_c
      _atom_type_scat_source
  Tm        12.0    0.000    0.000
 28.1819 2.02859 15.8851 0.23885 15.1542 10.9975 2.98706 102.961 6.75621 
  International_Tables_Vol_C
  Ba         2.0    0.000    0.000
 20.3361 3.21600 19.2970 0.27560 10.8880 20.2073 2.69590 167.202 2.77310 
  International_Tables_Vol_C
  Ge        14.0    0.000    0.000
 16.0816 2.85090 6.37470 0.25160 3.70680 11.4468 3.68300 54.7625 2.13130 
  International_Tables_Vol_C
  O         48.0    0.000    0.000
 3.04850 13.2771 2.28680 5.70110 1.54630 0.32390 0.86700 32.9089 0.25080 
  International_Tables_Vol_C
_diffrn_radiation_probe                x-ray
_diffrn_radiation_polarisn_ratio       0.8
_diffrn_radiation_wavelength           1.54056
_diffrn_radiation_type                 'Cu K\a~1~'
_pd_proc_ls_prof_R_factor              0.0253
_pd_proc_ls_prof_wR_factor             0.0353
_pd_proc_ls_prof_wR_expected           0.0206
_refine_ls_R_Fsqd_factor               0.02172

_pd_proc_ls_background_function
;   GSAS Background function number 1 with 36 terms.
 Shifted Chebyshev function of 1st kind
      1:    1654.06     2:   -1884.26     3:    1158.40     4:   -595.826    
      5:    188.813     6:   -12.4531     7:   -40.0084     8:    47.5913    
      9:   -26.5817    10:   -11.0204    11:   -4.66680    12:    17.7322    
     13:    9.04321    14:   -6.04703    15:   -5.55369    16:    13.0212    
     17:   -18.7179    18:    6.05159    19:    2.47696    20:   -5.39654    
     21:    9.60744    22:   -10.7828    23:    4.82393    24:    7.39232    
     25:   -2.24270    26:   0.717093    27:   -1.01175    28:   0.307566    
     29:   -1.59050    30:    2.26172    31:   -2.15927    32:   -2.53501    
     33:    3.89263    34:   -2.77591    35:    6.65187    36:   -4.09574    
;

_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 4
 Flat plate transmission absorption correction
Terms =    -0.12721         0.0000    
Correction is not refined.
;
_exptl_absorpt_correction_T_min        0.0
_exptl_absorpt_correction_T_max        1.0
# Extinction correction
_gsas_exptl_extinct_corr_T_min         1.00000
_gsas_exptl_extinct_corr_T_max         1.00000

_pd_proc_ls_profile_function
;
 CW Profile function number 4 with  21 terms
 Pseudovoigt profile coefficients as parameterized in
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994).
 J. Appl. Cryst.,27,892-900.
 Microstrain broadening by P.W. Stephens,  (1999). J. Appl. Cryst.,32,281-289.
 #1(GU)   =  111.106 #2(GV)   =    0.000 #3(GW)   =   16.504
 #4(GP)   =    0.000 #5(LX)   =    2.388 #6(ptec) =     0.74
 #7(trns) =     0.00 #8(shft) =   0.0000 #9(sfec) =     0.00
 #10(S/L) =   0.0230 #11(H/L) =   0.0223 #12(eta) =   0.2191
 #13(S400 ) =  0.0E+00 #14(S040 ) =  3.2E-04 #15(S004 ) =  9.0E-03
 #16(S220 ) = -5.4E-03 #17(S202 ) =  6.8E-02 #18(S022 ) = -1.6E-03
 #19(S301 ) =  5.7E-02 #20(S103 ) =  7.5E-02 #21(S121 ) = -5.2E-03
 Peak tails are ignored  where the intensity is below 0.0010 times the peak
   Aniso. broadening axis   0.0   1.0   0.0
;
_pd_proc_ls_peak_cutoff 0.00100
_pd_proc_info_datetime                 2023-01-23T12:36:35
_pd_calc_method                        "Rietveld Refinement"

#---- raw/calc data loop -----
_pd_meas_2theta_range_min              5.0
_pd_meas_2theta_range_max              119.98
_pd_meas_2theta_range_inc              0.02
_pd_proc_2theta_range_min              4.96993
_pd_proc_2theta_range_max              119.94994
_pd_proc_2theta_range_inc              0.02

loop_
      _pd_meas_counts_total
      _pd_proc_ls_weight
      _pd_proc_intensity_bkg_calc
      _pd_calc_intensity_total
  5386.0     0.0001857   5375.35400   5376.52637
  5381.0     0.0001858   5367.40186   5368.61328
  5359.0     0.0001866   5360.18408   5361.43604
  5271.0     0.0001897   5353.63916   5354.93408
  5383.0     0.0001858   5347.70996   5349.04932
  5348.0     0.0001870   5342.34180   5343.72900
  5377.0     0.0001860   5337.48438   5338.92188
  5372.0     0.0001862   5333.08936   5334.57959
  5290.0     0.0001890   5329.11279   5330.65820
  5313.0     0.0001882   5325.51172   5327.11670
  5330.0     0.0001876   5322.24707   5323.91504
  5326.0     0.0001878   5319.28223   5321.01660
  5270.0     0.0001898   5316.58252   5318.38672
  5319.0     0.0001880   5314.11523   5315.99512
  5415.0     0.0001847   5311.85156   5313.81152
  5328.0     0.0001877   5309.76221   5311.80762
  5297.0     0.0001888   5307.82275   5309.95947
  5295.0     0.0001889   5306.00830   5308.24219
  5232.0     0.0001911   5304.29639   5306.63525
  5233.0     0.0001911   5302.66699   5305.11914
  5254.0     0.0001903   5301.10107   5303.67383
  5405.0     0.0001850   5299.58105   5302.28467
  5312.0     0.0001883   5298.09033   5300.93555
  5238.0     0.0001909   5296.61572   5299.61475
  5394.0     0.0001854   5295.14209   5298.30811
  5267.0     0.0001899   5293.65869   5297.00684
  5274.0     0.0001896   5292.15381   5295.70117
  5237.0     0.0001909   5290.61768   5294.38428
  5391.0     0.0001855   5289.04150   5293.04932
  5337.0     0.0001874   5287.41748   5291.69238
  5299.0     0.0001887   5285.73779   5290.31104
  5329.0     0.0001877   5283.99707   5288.90332
  5381.0     0.0001858   5282.18896   5287.47217
  5133.0     0.0001948   5280.31006   5286.02197
  5278.0     0.0001895   5278.35498   5284.56543
  5279.0     0.0001894   5276.32178   5283.12842
  5258.0     0.0001902   5274.20605   5281.76807
  5347.0     0.0001870   5272.00684   5280.59424
  5345.0     0.0001871   5269.72266   5279.79980
  5259.0     0.0001902   5267.35107   5279.66650
  5297.0     0.0001888   5264.89209   5280.54590
  5332.0     0.0001875   5262.34570   5282.77441
  5272.0     0.0001897   5259.71094   5286.56201
  5293.0     0.0001889   5256.98926   5291.93945
  5331.0     0.0001876   5254.18115   5298.77441
  5458.0     0.0001832   5251.28711   5306.88477
  5285.0     0.0001892   5248.30859   5316.11328
  5257.0     0.0001902   5245.24756   5326.39551
  5262.0     0.0001900   5242.10498   5337.73584
  5347.0     0.0001870   5238.88330   5350.22070
  5342.0     0.0001872   5235.58447   5363.98291
  5352.0     0.0001868   5232.21094   5379.19775
  5508.0     0.0001816   5228.76465   5396.09961
  5317.0     0.0001881   5225.24805   5414.96289
  5388.0     0.0001856   5221.66455   5436.14844
  5427.0     0.0001843   5218.01611   5460.11377
  5527.0     0.0001809   5214.30518   5487.45117
  5424.0     0.0001844   5210.53516   5518.97070
  5367.0     0.0001863   5206.70898   5555.81055
  5561.0     0.0001798   5202.82910   5599.66846
  5689.0     0.0001758   5198.89795   5653.18066
  5730.0     0.0001745   5194.91943   5720.40625
  5734.0     0.0001744   5190.89600   5806.90967
  6022.0     0.0001661   5186.83008   5918.19531
  6108.0     0.0001637   5182.72510   6054.85596
  6202.0     0.0001612   5178.58350   6204.58057
  6185.0     0.0001617   5174.40771   6335.47119
  6332.0     0.0001579   5170.20215   6398.26904
  6403.0     0.0001562   5165.96729   6344.12695
  6191.0     0.0001615   5161.70752   6162.09424
  5878.0     0.0001701   5157.42432   5906.03467
  5675.0     0.0001762   5153.12061   5653.86084
  5561.0     0.0001798   5148.79883   5454.96973
  5462.0     0.0001831   5144.46143   5322.07520
  5147.0     0.0001943   5140.11035   5243.99121
  5300.0     0.0001887   5135.74805   5201.40625
  5314.0     0.0001882   5131.37695   5177.82373
  5100.0     0.0001961   5126.99854   5163.11035
  5212.0     0.0001919   5122.61523   5152.31836
  5213.0     0.0001918   5118.22900   5143.38818
  5228.0     0.0001913   5113.84131   5135.50830
  4969.0     0.0002012   5109.45410   5128.33105
  5081.0     0.0001968   5105.06836   5121.66895
  5180.0     0.0001931   5100.68701   5115.40381
  5128.0     0.0001950   5096.31006   5109.44922
  4955.0     0.0002018   5091.93945   5103.74414
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  1670.0     0.000599    731.00922    1682.68433
  1698.0     0.000589    730.58545    1727.50122
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  1808.0     0.000553    728.47424    1825.96301
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  1620.0     0.000617    726.37646    1605.97400
  1624.0     0.000616    725.95862    1590.09033
  1578.0     0.000634    725.54132    1603.28564
  1694.0     0.000590    725.12457    1646.00146
  1770.0     0.000565    724.70844    1711.31165
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  1873.0     0.000534    723.46381    1875.89392
  1863.0     0.000537    723.05011    1855.60156
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  1450.0     0.000690    721.81274    1540.81982
  1358.0     0.000736    721.40161    1410.36292
  1296.0     0.000772    720.99109    1299.67993
  1121.0     0.000892    720.58118    1220.39453
  1128.0     0.000887    720.17200    1176.85669
  1110.0     0.000901    719.76343    1166.51550
  1147.0     0.000872    719.35553    1180.39355
  1186.0     0.000843    718.94824    1209.57825
  1179.0     0.000848    718.54175    1239.32593
  1257.0     0.000796    718.13586    1258.55896
  1216.0     0.000822    717.73071    1260.76624
  1228.0     0.000814    717.32629    1244.52161
  1203.0     0.000831    716.92242    1213.10522
  1159.0     0.000863    716.51935    1172.88086
  1093.0     0.000915    716.11694    1131.49609
  1127.0     0.000887    715.71527    1097.12219
  1146.0     0.000873    715.31433    1077.47534
  1140.0     0.000877    714.91400    1079.54553
  1151.0     0.000869    714.51447    1109.55225
  1278.0     0.000782    714.11578    1172.48889
  1376.0     0.000727    713.71765    1271.43384
  1408.0     0.000710    713.32031    1406.61548
  1542.0     0.000649    712.92371    1574.50134
  1741.0     0.000574    712.52783    1766.83923
  1873.0     0.000534    712.13269    1971.04675
  2129.0     0.000470    711.73828    2169.33691
  2275.0     0.000440    711.34467    2341.17188
  2365.0     0.000423    710.95190    2465.83984
  2548.0     0.000392    710.55975    2525.86401
  2576.0     0.000388    710.16840    2511.24121
  2544.0     0.000393    709.77777    2423.56177
  2357.0     0.000424    709.38794    2276.81616
  2216.0     0.000451    708.99890    2091.25122
  2053.0     0.000487    708.61060    1889.87146
  1674.0     0.000597    708.22302    1693.16858
  1396.0     0.000716    707.83643    1518.16748
  1240.0     0.000806    707.45044    1378.43958
  1157.0     0.000864    707.06525    1284.73755
  1161.0     0.000861    706.68085    1245.74402
  1191.0     0.000840    706.29724    1266.57178
  1299.0     0.000770    705.91443    1355.55750
  1511.0     0.000662    705.53235    1511.38306
  1692.0     0.000591    705.15112    1728.12622
  1978.0     0.000506    704.77069    1991.07385
  2377.0     0.000421    704.39111    2276.21948
  2550.0     0.000392    704.01227    2548.85718
  2863.0     0.0003493   703.63422    2771.69287
  2943.0     0.0003398   703.25696    2913.07227
  3160.0     0.0003165   702.88049    2957.76953
  3061.0     0.0003267   702.50482    2909.45947
  2872.0     0.0003482   702.13000    2785.72241
  2699.0     0.000371    701.75592    2612.32666
  2505.0     0.000399    701.38281    2414.56372
  2218.0     0.000451    701.01031    2212.59863
  1980.0     0.000505    700.63873    2018.82983
  1888.0     0.000530    700.26788    1843.59399
  1756.0     0.000569    699.89789    1691.82764
  1632.0     0.000613    699.52869    1567.93579
  1544.0     0.000648    699.16034    1476.10083
  1445.0     0.000692    698.79272    1421.09802
  1434.0     0.000697    698.42609    1408.25903
  1482.0     0.000675    698.06012    1443.47095
  1554.0     0.000644    697.69501    1527.18079
  1722.0     0.000581    697.33069    1659.14063
  1868.0     0.000535    696.96716    1829.07019
  2090.0     0.000478    696.60443    2021.36389
  2240.0     0.000446    696.24261    2211.92261
  2489.0     0.000402    695.88153    2371.02173
  2550.0     0.000392    695.52130    2468.82520
  2685.0     0.000372    695.16187    2485.55835
  2535.0     0.000394    694.80328    2423.97974
  2424.0     0.000413    694.44543    2308.25073
  2229.0     0.000449    694.08844    2174.45020
  2074.0     0.000482    693.73224    2057.99023
  1991.0     0.000502    693.37689    1985.98706
  1979.0     0.000505    693.02234    1973.45239
  1949.0     0.000513    692.66858    2022.17700
  2006.0     0.000499    692.31567    2121.92310
  2187.0     0.000457    691.96350    2253.34473
  2294.0     0.000436    691.61218    2391.96460
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  2572.0     0.000389    690.91193    2598.40796
  2701.0     0.000370    690.56305    2640.73071
  2696.0     0.000371    690.21490    2646.11792
  2710.0     0.000369    689.86761    2629.42432
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  2569.0     0.000389    689.17542    2594.81226
  2538.0     0.000394    688.83051    2596.44409
  2523.0     0.000396    688.48639    2610.20630
  2570.0     0.000389    688.14307    2623.50391
  2627.0     0.000381    687.80054    2619.77222
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  2346.0     0.000426    686.77771    2373.31812
  2293.0     0.000436    686.43842    2211.90063
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  1239.0     0.000807    660.78833    1319.83838
  1216.0     0.000822    660.50659    1226.29504
  1123.0     0.000890    660.22534    1145.99036
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  1315.0     0.000760    669.66669    1367.98401
  1333.0     0.000750    669.56677    1370.44177
  1342.0     0.000745    669.46539    1363.73938
  1304.0     0.000767    669.36255    1347.75073
  1308.0     0.000765    669.25836    1322.88257
  1242.0     0.000805    669.15271    1290.14600
  1202.0     0.000832    669.04578    1251.05847
  1218.0     0.000821    668.93744    1207.81421
  1183.0     0.000845    668.82776    1163.11145
  1092.0     0.000916    668.71674    1120.00012
  1048.0     0.000954    668.60437    1081.27209
  1056.0     0.000947    668.49072    1049.59741
  1030.0     0.000971    668.37579    1027.02209
  1037.0     0.000964    668.25958    1014.98718
  947.0      0.001056    668.14209    1013.60876
  995.0      0.001005    668.02332    1022.41095
  1122.0     0.000891    667.90338    1039.88293
  1101.0     0.000908    667.78217    1063.32031
  1113.0     0.000898    667.65979    1089.77856
  1067.0     0.000937    667.53613    1116.14819
  1145.0     0.000873    667.41138    1140.05591
  1208.0     0.000828    667.28540    1160.55579
  1177.0     0.000850    667.15839    1178.67566
  1208.0     0.000828    667.03009    1197.11060
  1206.0     0.000829    666.90076    1218.30493
  1184.0     0.000845    666.77032    1245.37634
  1281.0     0.000781    666.63873    1280.69995
  1271.0     0.000787    666.50616    1325.26733
  1391.0     0.000719    666.37244    1379.39038
  1348.0     0.000742    666.23773    1442.03906
  1454.0     0.000688    666.10193    1510.91858
  1568.0     0.000638    665.96515    1582.60828
  1621.0     0.000617    665.82739    1652.76501
  1787.0     0.000560    665.68854    1716.47351
  1848.0     0.000541    665.54883    1768.84753
  1898.0     0.000527    665.40808    1806.15308
  1953.0     0.000512    665.26642    1826.44519
  1902.0     0.000526    665.12378    1831.34253
  1970.0     0.000508    664.98029    1825.50403
  1818.0     0.000550    664.83582    1815.69800
  1898.0     0.000527    664.69055    1808.76172
  1770.0     0.000565    664.54437    1811.35657
  1837.0     0.000544    664.39728    1827.88892
  1853.0     0.000540    664.24945    1860.11108
  1914.0     0.000522    664.10065    1906.56006
  2011.0     0.000497    663.95117    1962.58887
  2019.0     0.000495    663.80072    2020.84619
  2005.0     0.000499    663.64966    2072.28613
  2261.0     0.000442    663.49774    2107.83374
  2152.0     0.000465    663.34509    2120.44751
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  1943.0     0.000515    662.57092    1866.27344
  1793.0     0.000558    662.41400    1790.12146
  1765.0     0.000567    662.25641    1718.73303
  1658.0     0.000603    662.09821    1655.22766
  1659.0     0.000603    661.93927    1601.17896
  1673.0     0.000598    661.77985    1557.26135
  1577.0     0.000634    661.61975    1523.60327
  1591.0     0.000629    661.45911    1499.82898
  1592.0     0.000628    661.29779    1486.12378
  1556.0     0.000643    661.13599    1482.22119
  1521.0     0.000657    660.97363    1488.47668
  1537.0     0.000651    660.81073    1504.70850
  1495.0     0.000669    660.64728    1530.63416
  1513.0     0.000661    660.48334    1565.54041
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  1703.0     0.000587    659.82269    1757.73596
  1748.0     0.000572    659.65643    1802.47510
  1834.0     0.000545    659.48962    1836.74353
  1845.0     0.000542    659.32251    1855.01282
  1857.0     0.000539    659.15491    1853.95215
  1905.0     0.000525    658.98694    1831.64978
  1813.0     0.000552    658.81860    1791.73914
  1705.0     0.000587    658.64984    1737.66553
  1683.0     0.000594    658.48077    1674.67041
  1569.0     0.000637    658.31128    1607.69141
  1470.0     0.000680    658.14154    1540.70349
  1407.0     0.000711    657.97150    1476.64355
  1356.0     0.000737    657.80103    1416.57056
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  1350.0     0.000741    657.45929    1310.78357
  1252.0     0.000799    657.28802    1264.98730
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  1233.0     0.000811    656.94464    1187.53650
  1167.0     0.000857    656.77252    1155.50781
  1124.0     0.000890    656.60022    1128.30640
  1086.0     0.000921    656.42773    1106.12109
  1046.0     0.000956    656.25500    1089.22937
  1081.0     0.000925    656.08203    1077.81128
  971.0      0.001030    655.90887    1071.96301
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  1285.0     0.000778    652.41974    1285.24573
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  1344.0     0.000744    652.06952    1331.45154
  1336.0     0.000749    651.89441    1360.27917
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  1540.0     0.000649    651.19403    1450.03357
  1564.0     0.000639    651.01910    1454.20728
  1472.0     0.000679    650.84406    1448.67310
  1466.0     0.000682    650.66913    1433.32080
  1453.0     0.000688    650.49432    1408.96338
  1442.0     0.000693    650.31946    1376.85229
  1421.0     0.000704    650.14471    1339.16821
  1338.0     0.000747    649.96997    1297.71021
  1254.0     0.000797    649.79535    1254.44189
  1279.0     0.000782    649.62079    1210.94043
  1176.0     0.000850    649.44635    1168.66028
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  1043.0     0.000959    649.09766    1090.65894
  1034.0     0.000967    648.92346    1056.32104
  999.0      0.001001    648.74933    1025.48413
  1052.0     0.000951    648.57538    998.15594
  981.0      0.001019    648.40137    974.16547
  956.0      0.001046    648.22760    953.22717
  987.0      0.001013    648.05396    935.01678
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  966.0      0.001035    647.70691    906.02728
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  939.0      0.001065    647.36035    888.35992
  941.0      0.001063    647.18719    885.44592
  910.0      0.001099    647.01428    887.77179
  886.0      0.001129    646.84143    896.48999
  879.0      0.001138    646.66870    911.88336
  930.0      0.001075    646.49603    934.52893
  977.0      0.001024    646.32367    964.17114
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  1052.0     0.000951    645.97913    1039.63074
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  1087.0     0.000920    645.63519    1120.59106
  1145.0     0.000873    645.46344    1155.37988
  1198.0     0.000835    645.29175    1182.08679
  1206.0     0.000829    645.12036    1199.27759
  1233.0     0.000811    644.94897    1207.61389
  1248.0     0.000801    644.77771    1210.39465
  1256.0     0.000796    644.60669    1212.51318
  1274.0     0.000785    644.43567    1219.24548
  1182.0     0.000846    644.26489    1235.48047
  1239.0     0.000807    644.09418    1264.40503
  1313.0     0.000762    643.92377    1308.24402
  1379.0     0.000725    643.75330    1367.42090
  1443.0     0.000693    643.58307    1440.44458
  1540.0     0.000649    643.41296    1524.59424
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  1745.0     0.000573    643.07312    1709.48389
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  2082.0     0.000480    642.39496    2008.93188
  2128.0     0.000470    642.22565    2047.66516
  2149.0     0.000465    642.05652    2070.14624
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  2039.0     0.000490    641.54987    2052.03979
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  1894.0     0.000528    641.04413    1915.32813
  1888.0     0.000530    640.87573    1841.91418
  1784.0     0.000561    640.70752    1755.59631
  1634.0     0.000612    640.53931    1659.20459
  1602.0     0.000624    640.37115    1556.85852
  1456.0     0.000687    640.20306    1453.31262
  1328.0     0.000753    640.03516    1351.92004
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  1211.0     0.000826    639.69940    1176.80286
  1150.0     0.000870    639.53168    1107.30798
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  1027.0     0.000974    638.52618    972.11523
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  774.0      0.001292    502.95847    755.89917
  765.0      0.001307    502.74936    747.98151
  771.0      0.001297    502.53705    738.90729
  705.0      0.001418    502.32166    729.04510
  767.0      0.001304    502.10297    718.79346
  707.0      0.001414    501.88120    708.60852
  681.0      0.001468    501.65637    698.73480
  692.0      0.001445    501.42822    689.61823
  719.0      0.001391    501.19705    681.36462
  694.0      0.001441    500.96277    674.22595
  712.0      0.001404    500.72556    668.35278
  663.0      0.001508    500.48520    663.71790
  723.0      0.001383    500.24203    660.37677
  695.0      0.001439    499.99591    658.22858
  660.0      0.001515    499.74710    657.21765
  700.0      0.001429    499.49554    657.24536
  635.0      0.001575    499.24133    658.20874
  670.0      0.001493    498.98465    660.01105
  675.0      0.001481    498.72549    662.56818
  666.0      0.001502    498.46420    665.81519
  700.0      0.001429    498.20062    669.70563
  710.0      0.001408    497.93518    674.21252
  668.0      0.001497    497.66800    679.33215
  696.0      0.001437    497.39902    685.05261
  679.0      0.001473    497.12872    691.41858
  649.0      0.001541    496.85712    698.39203
  692.0      0.001445    496.58463    706.06372
  658.0      0.001520    496.31128    714.33490
  718.0      0.001393    496.03754    723.25146
  711.0      0.001406    495.76352    732.79120
  775.0      0.001290    495.48972    742.91296
  738.0      0.001355    495.21628    753.55353
  767.0      0.001304    494.94351    764.63135
  762.0      0.001312    494.67203    776.03119
  781.0      0.001280    494.40189    787.62543
  749.0      0.001335    494.13376    799.26636
  803.0      0.001245    493.86789    810.78870
  899.0      0.001112    493.60489    822.02478
  825.0      0.001212    493.34509    832.78290
  928.0      0.001078    493.08914    842.89319
  859.0      0.001164    492.83752    852.19019
  849.0      0.001178    492.59067    860.52283
  960.0      0.001042    492.34933    867.76532
  908.0      0.001101    492.11407    873.86597
  934.0      0.001071    491.88553    878.67987
  861.0      0.001161    491.66434    882.24707
  898.0      0.001114    491.45135    884.62488
  931.0      0.001074    491.24716    885.93634
  879.0      0.001138    491.05255    886.39380
  913.0      0.001095    490.86844    886.21167
  884.0      0.001131    490.69559    885.69879
  927.0      0.001079    490.53491    885.16211
  881.0      0.001135    490.38730    884.89325
  879.0      0.001138    490.25378    885.15381
  873.0      0.001145    490.13519    886.06488
  881.0      0.001135    490.03275    887.95050
  860.0      0.001163    489.94742    890.79547
  844.0      0.001185    489.88034    894.60541
  848.0      0.001179    489.83264    899.31439
  872.0      0.001147    489.80554    904.79749
  868.0      0.001152    489.80029    910.87671
  937.0      0.001067    489.81815    917.34601
  879.0      0.001138    489.86041    923.92358
  868.0      0.001152    489.92856    930.34985
  913.0      0.001095    490.02393    936.31696
  896.0      0.001116    490.14789    941.52484
  920.0      0.001087    490.30215    945.66937
  914.0      0.001094    490.48810    948.46527
  973.0      0.001028    490.70743    949.65869
  982.0      0.001018    490.96164    949.05206
  969.0      0.001032    491.25269    946.51593
  952.0      0.001050    491.58197    942.00098
  952.0      0.001050    491.95148    935.53619
  957.0      0.001045    492.36313    927.14905
  941.0      0.001063    492.81857    917.15302
  920.0      0.001087    493.31998    905.67719
  911.0      0.001098    493.86902    892.95825
  956.0      0.001046    494.46817    879.24854
  815.0      0.001227    495.11887    864.81024
  918.0     .            .            .
_pd_meas_number_of_points              5750
_pd_proc_number_of_points              5750

_reflns_number_total                   1620
_reflns_limit_h_min                    0
_reflns_limit_h_max                    6
_reflns_limit_k_min                    0
_reflns_limit_k_max                    31
_reflns_limit_l_min                    -7
_reflns_limit_l_max                    7
_reflns_d_resolution_high              0.890
_reflns_d_resolution_low               13.927
#--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--#
