data_BARUO3_6H_RT_publ

_pd_block_id
  2017-01-06T09:08|BARUO3_6H_RT|bjk|Overall

_audit_creation_method  "from EXP file using GSAS2CIF"
_audit_creation_date                   2017-01-06T09:08
_audit_author_name                     bjk
_audit_update_record
; 2017-01-06T09:08  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            ?   # Name of author for correspondence
_publ_contact_author_address             # Address of author for correspondence
; ?
;
_publ_contact_author_email           ?
_publ_contact_author_fax             ?
_publ_contact_author_phone           ?

_publ_contact_letter
; ?
;

_publ_requested_journal              ?
_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                   ?
_journal_year                        ?
_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
; ?
;
_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
 ?                                   #<--'Last name, first name'
; ?
;
; ?
;

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

# 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
; ?
;

#=============================================================================
# 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     ?
_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              ?

_pd_char_colour                   ?       # use ICDD colour descriptions
data_BARUO3_6H_RT_overall

_refine_ls_shift/su_max                0.04
_refine_ls_shift/su_mean               0.01
_computing_structure_refinement        GSAS
_refine_ls_number_parameters           48
_refine_ls_goodness_of_fit_all         3.99
_refine_ls_number_restraints           0
_refine_ls_matrix_type                 full

# pointers to the phase blocks
loop_   _pd_phase_block_id
      2017-01-06T09:08|BARUO3_6H_RT_phase1|bjk||
# pointers to the diffraction patterns
loop_   _pd_block_diffractogram_id
      ?

# Information for phase 1
data_BARUO3_6H_RT_phase_1

_pd_block_id
  2017-01-06T09:08|BARUO3_6H_RT_phase1|bjk||

#==============================================================================
# 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA

_pd_char_particle_morphology      ?

_chemical_name_systematic
; ?
;
_chemical_name_common             ?
_chemical_formula_moiety          ?
_chemical_formula_structural      ?
_chemical_formula_analytical      ?
_chemical_melting_point           ?
_chemical_compound_source         ?       # for minerals and
                                          # natural products
_symmetry_space_group_name_Hall   ?

_exptl_crystal_F_000               ?
_exptl_crystal_density_diffrn      ?
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?

_cell_measurement_temperature     ?

_cell_special_details
; ?
;

_geom_special_details             ?

# The following item identifies the program(s) used (if appropriate).
_computing_structure_solution     ?

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

# 8. Phase information from GSAS

_pd_phase_name
    "from C:/Experiments/2016/AS_August2016/PD/BaRuO3_Paula/BaRuO3_6H/B"
_cell_length_a                         5.71567(4)
_cell_length_b                         5.71567
_cell_length_c                         14.05598(10)
_cell_angle_alpha                      90.0
_cell_angle_beta                       90.0
_cell_angle_gamma                      120.0
_cell_volume                           397.674(8)
_symmetry_cell_setting                 hexagonal
_symmetry_space_group_name_H-M         "P 63/m m c"
loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz
       1 +x,+y,+z 
       2 x-y,+x,+z+1/2 
       3 -y,x-y,+z 
       4 -x,-y,+z+1/2 
       5 y-x,-x,+z 
       6 +y,y-x,+z+1/2 
       7 y-x,+y,+z 
       8 -x,y-x,+z+1/2 
       9 -y,-x,+z 
      10 x-y,-y,+z+1/2 
      11 +x,x-y,+z 
      12 +y,+x,+z+1/2 
      -1 -x,-y,-z 
      -2 y-x,-x,-z+1/2 
      -3 +y,y-x,-z 
      -4 +x,+y,-z+1/2 
      -5 x-y,+x,-z 
      -6 -y,x-y,-z+1/2 
      -7 x-y,-y,-z 
      -8 +x,x-y,-z+1/2 
      -9 +y,+x,-z 
     -10 y-x,+y,-z+1/2 
     -11 -x,y-x,-z 
     -12 -y,-x,-z+1/2 

# 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
Ba
Ba1     0.0          0.0          0.25         1.0        Uiso   0.00677(22)   2
Ba
Ba2     0.3333       0.6667       0.089827(32  1.0        Uiso   0.00553(10)   4
Ru
Ru1     0.0          0.0          0.0          1.0        Uiso   0.00313(25)   2
Ru
Ru2     0.3333       0.6667       0.65884(4)   1.0        Uiso   0.00717(13)   4
O-
O1      0.5141(4)   -0.5141(4)    0.25         1.0        Uiso   0.0084(4)     6
O-
O2      0.8367(4)   -0.8367(4)    0.08020(19)  1.0        Uiso   0.0084(4)    12

loop_ _atom_type_symbol
      _atom_type_number_in_cell
                   Ba  6.0        
                   Ru  6.0        
                   O- 18.0        
 
# If you change Z, be sure to change all 3 of the following
_chemical_formula_sum                  "Ba O3 Ru"
_chemical_formula_weight               286.40
_cell_formula_units_Z                  6

# 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
  Ba1       Ba2            3.99493(25)  .      1_445  N
  Ba1       Ba2            3.99452(25)  .      1_545  N
  Ba1       Ba2            3.99493(25)  .      1_555  N
  Ba1       Ba2            3.99452(25)  .     -2_455  N
  Ba1       Ba2            3.99493(25)  .     -2_555  N
  Ba1       Ba2            3.99493(25)  .     -2_565  N
  Ba1       Ru1           3.513990(30)  .      1_555  N
  Ba1       Ru1           3.513990(30)  .      2_555  N
  Ba1       Ru2            3.54013(20)  .      2_544  N
  Ba1       Ru2            3.54013(20)  .      2_554  N
  Ba1       Ru2            3.53967(20)  .      2_654  N
  Ba1       Ru2            3.54013(20)  .     -1_556  N
  Ba1       Ru2            3.53967(20)  .     -1_566  N
  Ba1       Ru2            3.54013(20)  .     -1_666  N
  Ba1       O1             2.86123(17)  .      1_455  N
  Ba1       O1             2.86123(17)  .      1_565  N
  Ba1       O1             2.86123(17)  .      3_445  N
  Ba1       O1             2.86123(17)  .      3_545  N
  Ba1       O1             2.86123(17)  .      5_655  N
  Ba1       O1             2.86123(17)  .      5_665  N
  Ba1       O2              2.8825(32)  .      1_465  N
  Ba1       O2              2.8825(32)  .      3_435  N
  Ba1       O2              2.8825(32)  .      5_765  N
  Ba1       O2              2.8825(32)  .     -2_765  N
  Ba1       O2              2.8825(32)  .     -4_465  N
  Ba1       O2              2.8825(32)  .     -6_435  N
  Ba2       Ba1            3.99493(25)  .      1_555  N
  Ba2       Ba1            3.99452(25)  .      1_565  N
  Ba2       Ba1            3.99493(25)  .      1_665  N
  Ba2       Ba2              4.1550(5)  .     -1_565  N
  Ba2       Ba2              4.1558(5)  .     -1_665  N
  Ba2       Ba2              4.1550(5)  .     -1_675  N
  Ba2       Ba2              4.5028(9)  .     -2_565  N
  Ba2       Ru1            3.53340(16)  .      1_555  N
  Ba2       Ru1            3.53294(16)  .      1_565  N
  Ba2       Ru1            3.53340(16)  .      1_665  N
  Ba2       Ru2            3.43973(18)  .      2_554  N
  Ba2       Ru2            3.43973(18)  .      2_654  N
  Ba2       Ru2            3.43926(18)  .      2_664  N
  Ba2       Ru2              3.4953(7)  .     -2_565  N
  Ba2       O1              2.8760(22)  .      1_565  N
  Ba2       O1              2.8756(22)  .      3_555  N
  Ba2       O1              2.8756(22)  .      5_665  N
  Ba2       O2             2.86124(13)  .      1_465  N
  Ba2       O2             2.86124(13)  .      1_575  N
  Ba2       O2             2.86095(13)  .      3_445  N
  Ba2       O2             2.86152(13)  .      3_545  N
  Ba2       O2             2.86152(13)  .      5_765  N
  Ba2       O2             2.86095(13)  .      5_775  N
  Ba2       O2              2.9232(32)  .     -1_655  N
  Ba2       O2              2.9235(32)  .     -3_675  N
  Ba2       O2              2.9235(32)  .     -5_455  N
  Ru1       Ba1           3.513990(30)  .      1_555  N
  Ru1       Ba1           3.513990(30)  .      2_554  N
  Ru1       Ba2            3.53340(16)  .      1_445  N
  Ru1       Ba2            3.53294(16)  .      1_545  N
  Ru1       Ba2            3.53340(16)  .      1_555  N
  Ru1       Ba2            3.53340(16)  .     -1_555  N
  Ru1       Ba2            3.53294(16)  .     -1_565  N
  Ru1       Ba2            3.53340(16)  .     -1_665  N
  Ru1       O2                1.971(4)  .      1_465  N
  Ru1       O2                1.971(4)  .      3_435  N
  Ru1       O2                1.971(4)  .      5_765  N
  Ru1       O2                1.971(4)  .     -1_645  N
  Ru1       O2                1.971(4)  .     -3_675  N
  Ru1       O2                1.971(4)  .     -5_345  N
  Ru2       Ba1            3.54013(20)  .      2_555  N
  Ru2       Ba1            3.53967(20)  .      2_565  N
  Ru2       Ba1            3.54013(20)  .      2_665  N
  Ru2       Ba2            3.43973(18)  .      2_555  N
  Ru2       Ba2            3.43973(18)  .      2_655  N
  Ru2       Ba2            3.43926(18)  .      2_665  N
  Ru2       Ba2              3.4953(7)  .     -2_565  N
  Ru2       Ru2             2.5627(11)  .     -2_566  N
  Ru2       O1              1.9808(27)  .      2_455  N
  Ru2       O1              1.9812(27)  .      4_655  N
  Ru2       O1              1.9808(27)  .      6_675  N
  Ru2       O2                2.014(4)  .      2_455  N
  Ru2       O2                2.014(4)  .      4_655  N
  Ru2       O2                2.014(4)  .      6_675  N
  O1        Ba1            2.86123(17)  .      1_545  N
  O1        Ba1            2.86123(17)  .      1_655  N
  O1        Ba2             2.8760(22)  .      1_545  N
  O1        Ba2             2.8756(22)  .     -2_555  N
  O1        Ru2             1.9808(27)  .      2_644  N
  O1        Ru2             1.9812(27)  .     -1_656  N
  O2        Ba1             2.8825(32)  .      1_645  N
  O2        Ba2            2.86124(13)  .      1_535  N
  O2        Ba2            2.86124(13)  .      1_645  N
  O2        Ba2             2.9232(32)  .     -1_655  N
  O2        Ru1               1.971(4)  .      1_645  N
  O2        Ru2               2.014(4)  .      2_644  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
  Ba2       Ba1       Ba2              91.352(7)      1_445  .      1_545  N
  Ba2       Ba1       Ba2              91.346(7)      1_445  .      1_555  N
  Ba2       Ba1       Ba2             68.609(10)      1_445  .     -2_455  N
  Ba2       Ba1       Ba2           131.2163(33)      1_445  .     -2_555  N
  Ba2       Ba1       Ba2           131.2085(33)      1_445  .     -2_565  N
  Ba2       Ba1       Ru1              55.698(5)      1_445  .      1_555  N
  Ba2       Ba1       Ru1             124.302(5)      1_445  .      2_555  N
  Ba2       Ba1       Ru2              53.913(4)      1_445  .      2_544  N
  Ba2       Ba1       Ru2              53.905(4)      1_445  .      2_554  N
  Ba2       Ba1       Ru2            124.475(10)      1_445  .      2_654  N
  Ba2       Ba1       Ru2              79.576(7)      1_445  .     -1_556  N
  Ba2       Ba1       Ru2              79.567(7)      1_445  .     -1_566  N
  Ba2       Ba1       Ru2             166.917(9)      1_445  .     -1_666  N
  Ba2       Ba1       O1                46.02(4)      1_445  .      1_455  N
  Ba2       Ba1       O1               137.27(4)      1_445  .      1_565  N
  Ba2       Ba1       O1                46.01(4)      1_445  .      3_445  N
  Ba2       Ba1       O1               137.28(4)      1_445  .      3_545  N
  Ba2       Ba1       O1                87.70(6)      1_445  .      5_655  N
  Ba2       Ba1       O1                87.69(6)      1_445  .      5_665  N
  Ba2       Ba1       O2               45.712(4)      1_445  .      1_465  N
  Ba2       Ba1       O2               45.718(4)      1_445  .      3_435  N
  Ba2       Ba1       O2                89.80(7)      1_445  .      5_765  N
  Ba2       Ba1       O2               158.41(7)      1_445  .     -2_765  N
  Ba2       Ba1       O2               103.59(5)      1_445  .     -4_465  N
  Ba2       Ba1       Ba2              91.352(7)      1_545  .      1_555  N
  Ba2       Ba1       Ba2           131.2109(33)      1_545  .     -2_455  N
  Ba2       Ba1       Ba2             68.609(10)      1_545  .     -2_555  N
  Ba2       Ba1       Ba2           131.2058(33)      1_545  .     -2_565  N
  Ba2       Ba1       Ru1              55.694(5)      1_545  .      1_555  N
  Ba2       Ba1       Ru1             124.306(5)      1_545  .      2_555  N
  Ba2       Ba1       Ru2              53.917(4)      1_545  .      2_544  N
  Ba2       Ba1       Ru2            124.474(10)      1_545  .      2_554  N
  Ba2       Ba1       Ru2              53.912(4)      1_545  .      2_654  N
  Ba2       Ba1       Ru2              79.568(7)      1_545  .     -1_556  N
  Ba2       Ba1       Ru2             166.916(9)      1_545  .     -1_566  N
  Ba2       Ba1       Ru2              79.568(7)      1_545  .     -1_666  N
  Ba2       Ba1       O1                87.70(6)      1_545  .      1_455  N
  Ba2       Ba1       O1                87.70(6)      1_545  .      1_565  N
  Ba2       Ba1       O1               137.27(4)      1_545  .      3_445  N
  Ba2       Ba1       O1                46.02(4)      1_545  .      3_545  N
  Ba2       Ba1       O1                46.02(4)      1_545  .      5_655  N
  Ba2       Ba1       O1               137.27(4)      1_545  .      5_665  N
  Ba2       Ba1       O2                89.80(7)      1_545  .      1_465  N
  Ba2       Ba1       O2               45.712(4)      1_545  .      3_435  N
  Ba2       Ba1       O2               45.712(4)      1_545  .      5_765  N
  Ba2       Ba1       O2               103.60(5)      1_545  .     -2_765  N
  Ba2       Ba1       O2               158.41(7)      1_545  .     -4_465  N
  Ba2       Ba1       Ba2           131.2058(33)      1_555  .     -2_455  N
  Ba2       Ba1       Ba2           131.2085(33)      1_555  .     -2_555  N
  Ba2       Ba1       Ba2             68.605(10)      1_555  .     -2_565  N
  Ba2       Ba1       Ru1              55.698(5)      1_555  .      1_555  N
  Ba2       Ba1       Ru1             124.302(5)      1_555  .      2_555  N
  Ba2       Ba1       Ru2            124.478(10)      1_555  .      2_544  N
  Ba2       Ba1       Ru2              53.913(4)      1_555  .      2_554  N
  Ba2       Ba1       Ru2              53.916(4)      1_555  .      2_654  N
  Ba2       Ba1       Ru2             166.917(9)      1_555  .     -1_556  N
  Ba2       Ba1       Ru2              79.567(7)      1_555  .     -1_566  N
  Ba2       Ba1       Ru2              79.576(7)      1_555  .     -1_666  N
  Ba2       Ba1       O1               137.27(4)      1_555  .      1_455  N
  Ba2       Ba1       O1                46.02(4)      1_555  .      1_565  N
  Ba2       Ba1       O1                87.69(6)      1_555  .      3_445  N
  Ba2       Ba1       O1                87.70(6)      1_555  .      3_545  N
  Ba2       Ba1       O1               137.28(4)      1_555  .      5_655  N
  Ba2       Ba1       O1                46.01(4)      1_555  .      5_665  N
  Ba2       Ba1       O2               45.712(4)      1_555  .      1_465  N
  Ba2       Ba1       O2                89.80(7)      1_555  .      3_435  N
  Ba2       Ba1       O2               45.718(4)      1_555  .      5_765  N
  Ba2       Ba1       O2               103.60(5)      1_555  .     -2_765  N
  Ba2       Ba1       O2               103.59(5)      1_555  .     -4_465  N
  Ba2       Ba1       Ba2              91.352(7)     -2_455  .     -2_555  N
  Ba2       Ba1       Ba2              91.352(7)     -2_455  .     -2_565  N
  Ba2       Ba1       Ru1             124.306(5)     -2_455  .      1_555  N
  Ba2       Ba1       Ru1              55.694(5)     -2_455  .      2_555  N
  Ba2       Ba1       Ru2              79.568(7)     -2_455  .      2_544  N
  Ba2       Ba1       Ru2              79.568(7)     -2_455  .      2_554  N
  Ba2       Ba1       Ru2             166.916(9)     -2_455  .      2_654  N
  Ba2       Ba1       Ru2              53.917(4)     -2_455  .     -1_556  N
  Ba2       Ba1       Ru2              53.912(4)     -2_455  .     -1_566  N
  Ba2       Ba1       Ru2            124.474(10)     -2_455  .     -1_666  N
  Ba2       Ba1       O1                46.02(4)     -2_455  .      1_455  N
  Ba2       Ba1       O1               137.27(4)     -2_455  .      1_565  N
  Ba2       Ba1       O1                46.02(4)     -2_455  .      3_445  N
  Ba2       Ba1       O1               137.27(4)     -2_455  .      3_545  N
  Ba2       Ba1       O1                87.70(6)     -2_455  .      5_655  N
  Ba2       Ba1       O1                87.70(6)     -2_455  .      5_665  N
  Ba2       Ba1       O2               103.60(5)     -2_455  .      1_465  N
  Ba2       Ba1       O2               103.60(5)     -2_455  .      3_435  N
  Ba2       Ba1       O2               158.41(7)     -2_455  .      5_765  N
  Ba2       Ba1       O2                89.80(7)     -2_455  .     -2_765  N
  Ba2       Ba1       O2               45.712(4)     -2_455  .     -4_465  N
  Ba2       Ba1       Ba2              91.346(7)     -2_555  .     -2_565  N
  Ba2       Ba1       Ru1             124.302(5)     -2_555  .      1_555  N
  Ba2       Ba1       Ru1              55.698(5)     -2_555  .      2_555  N
  Ba2       Ba1       Ru2              79.576(7)     -2_555  .      2_544  N
  Ba2       Ba1       Ru2             166.917(9)     -2_555  .      2_554  N
  Ba2       Ba1       Ru2              79.567(7)     -2_555  .      2_654  N
  Ba2       Ba1       Ru2              53.913(4)     -2_555  .     -1_556  N
  Ba2       Ba1       Ru2            124.475(10)     -2_555  .     -1_566  N
  Ba2       Ba1       Ru2              53.905(4)     -2_555  .     -1_666  N
  Ba2       Ba1       O1                87.70(6)     -2_555  .      1_455  N
  Ba2       Ba1       O1                87.69(6)     -2_555  .      1_565  N
  Ba2       Ba1       O1               137.28(4)     -2_555  .      3_445  N
  Ba2       Ba1       O1                46.01(4)     -2_555  .      3_545  N
  Ba2       Ba1       O1                46.02(4)     -2_555  .      5_655  N
  Ba2       Ba1       O1               137.27(4)     -2_555  .      5_665  N
  Ba2       Ba1       O2               158.41(7)     -2_555  .      1_465  N
  Ba2       Ba1       O2               103.60(5)     -2_555  .      3_435  N
  Ba2       Ba1       O2               103.59(5)     -2_555  .      5_765  N
  Ba2       Ba1       O2               45.712(4)     -2_555  .     -2_765  N
  Ba2       Ba1       O2                89.80(7)     -2_555  .     -4_465  N
  Ba2       Ba1       Ru1             124.302(5)     -2_565  .      1_555  N
  Ba2       Ba1       Ru1              55.698(5)     -2_565  .      2_555  N
  Ba2       Ba1       Ru2             166.917(9)     -2_565  .      2_544  N
  Ba2       Ba1       Ru2              79.576(7)     -2_565  .      2_554  N
  Ba2       Ba1       Ru2              79.567(7)     -2_565  .      2_654  N
  Ba2       Ba1       Ru2            124.478(10)     -2_565  .     -1_556  N
  Ba2       Ba1       Ru2              53.916(4)     -2_565  .     -1_566  N
  Ba2       Ba1       Ru2              53.913(4)     -2_565  .     -1_666  N
  Ba2       Ba1       O1               137.28(4)     -2_565  .      1_455  N
  Ba2       Ba1       O1                46.01(4)     -2_565  .      1_565  N
  Ba2       Ba1       O1                87.70(6)     -2_565  .      3_445  N
  Ba2       Ba1       O1                87.69(6)     -2_565  .      3_545  N
  Ba2       Ba1       O1               137.27(4)     -2_565  .      5_655  N
  Ba2       Ba1       O1                46.02(4)     -2_565  .      5_665  N
  Ba2       Ba1       O2               103.60(5)     -2_565  .      1_465  N
  Ba2       Ba1       O2               158.41(7)     -2_565  .      3_435  N
  Ba2       Ba1       O2               103.59(5)     -2_565  .      5_765  N
  Ba2       Ba1       O2               45.712(4)     -2_565  .     -2_765  N
  Ba2       Ba1       O2               45.718(4)     -2_565  .     -4_465  N
  Ru1       Ba1       Ru1                  180.0      1_555  .      2_555  N
  Ru1       Ba1       Ru2              68.780(8)      1_555  .      2_544  N
  Ru1       Ba1       Ru2              68.780(8)      1_555  .      2_554  N
  Ru1       Ba1       Ru2              68.777(8)      1_555  .      2_654  N
  Ru1       Ba1       Ru2             111.220(8)      1_555  .     -1_556  N
  Ru1       Ba1       Ru2             111.223(8)      1_555  .     -1_566  N
  Ru1       Ba1       Ru2             111.220(8)      1_555  .     -1_666  N
  Ru1       Ba1       O1                    90.0      1_555  .      1_455  N
  Ru1       Ba1       O1                    90.0      1_555  .      1_565  N
  Ru1       Ba1       O1                    90.0      1_555  .      3_445  N
  Ru1       Ba1       O1                    90.0      1_555  .      3_545  N
  Ru1       Ba1       O1                    90.0      1_555  .      5_655  N
  Ru1       Ba1       O1                    90.0      1_555  .      5_665  N
  Ru1       Ba1       O2                34.11(7)      1_555  .      1_465  N
  Ru1       Ba1       O2                34.11(7)      1_555  .      3_435  N
  Ru1       Ba1       O2                34.11(7)      1_555  .      5_765  N
  Ru1       Ba1       O2               145.89(7)      1_555  .     -2_765  N
  Ru1       Ba1       O2               145.89(7)      1_555  .     -4_465  N
  Ru1       Ba1       Ru2             111.220(8)      2_555  .      2_544  N
  Ru1       Ba1       Ru2             111.220(8)      2_555  .      2_554  N
  Ru1       Ba1       Ru2             111.223(8)      2_555  .      2_654  N
  Ru1       Ba1       Ru2              68.780(8)      2_555  .     -1_556  N
  Ru1       Ba1       Ru2              68.777(8)      2_555  .     -1_566  N
  Ru1       Ba1       Ru2              68.780(8)      2_555  .     -1_666  N
  Ru1       Ba1       O1                    90.0      2_555  .      1_455  N
  Ru1       Ba1       O1                    90.0      2_555  .      1_565  N
  Ru1       Ba1       O1                    90.0      2_555  .      3_445  N
  Ru1       Ba1       O1                    90.0      2_555  .      3_545  N
  Ru1       Ba1       O1                    90.0      2_555  .      5_655  N
  Ru1       Ba1       O1                    90.0      2_555  .      5_665  N
  Ru1       Ba1       O2               145.89(7)      2_555  .      1_465  N
  Ru1       Ba1       O2               145.89(7)      2_555  .      3_435  N
  Ru1       Ba1       O2               145.89(7)      2_555  .      5_765  N
  Ru1       Ba1       O2                34.11(7)      2_555  .     -2_765  N
  Ru1       Ba1       O2                34.11(7)      2_555  .     -4_465  N
  Ru2       Ba1       Ru2             107.660(9)      2_544  .      2_554  N
  Ru2       Ba1       Ru2             107.670(9)      2_544  .      2_654  N
  Ru2       Ba1       Ru2             42.439(16)      2_544  .     -1_556  N
  Ru2       Ba1       Ru2           124.4332(33)      2_544  .     -1_566  N
  Ru2       Ba1       Ru2           124.4371(33)      2_544  .     -1_666  N
  Ru2       Ba1       O1                34.00(5)      2_544  .      1_455  N
  Ru2       Ba1       O1               141.60(6)      2_544  .      1_565  N
  Ru2       Ba1       O1                92.60(7)      2_544  .      3_445  N
  Ru2       Ba1       O1                92.60(7)      2_544  .      3_545  N
  Ru2       Ba1       O1                34.00(5)      2_544  .      5_655  N
  Ru2       Ba1       O1               141.59(6)      2_544  .      5_665  N
  Ru2       Ba1       O2                87.80(4)      2_544  .      1_465  N
  Ru2       Ba1       O2                34.67(7)      2_544  .      3_435  N
  Ru2       Ba1       O2                87.80(4)      2_544  .      5_765  N
  Ru2       Ba1       O2             124.131(17)      2_544  .     -2_765  N
  Ru2       Ba1       O2             124.125(17)      2_544  .     -4_465  N
  Ru2       Ba1       Ru2             107.670(9)      2_554  .      2_654  N
  Ru2       Ba1       Ru2           124.4371(33)      2_554  .     -1_556  N
  Ru2       Ba1       Ru2             42.442(16)      2_554  .     -1_566  N
  Ru2       Ba1       Ru2           124.4462(33)      2_554  .     -1_666  N
  Ru2       Ba1       O1                92.60(7)      2_554  .      1_455  N
  Ru2       Ba1       O1                92.60(7)      2_554  .      1_565  N
  Ru2       Ba1       O1                34.00(5)      2_554  .      3_445  N
  Ru2       Ba1       O1               141.60(6)      2_554  .      3_545  N
  Ru2       Ba1       O1               141.59(6)      2_554  .      5_655  N
  Ru2       Ba1       O1                34.00(5)      2_554  .      5_665  N
  Ru2       Ba1       O2                34.67(7)      2_554  .      1_465  N
  Ru2       Ba1       O2                87.80(4)      2_554  .      3_435  N
  Ru2       Ba1       O2                87.80(4)      2_554  .      5_765  N
  Ru2       Ba1       O2             124.131(17)      2_554  .     -2_765  N
  Ru2       Ba1       O2                77.11(7)      2_554  .     -4_465  N
  Ru2       Ba1       Ru2           124.4332(33)      2_654  .     -1_556  N
  Ru2       Ba1       Ru2           124.4383(33)      2_654  .     -1_566  N
  Ru2       Ba1       Ru2             42.442(16)      2_654  .     -1_666  N
  Ru2       Ba1       O1               141.60(6)      2_654  .      1_455  N
  Ru2       Ba1       O1                34.00(5)      2_654  .      1_565  N
  Ru2       Ba1       O1               141.60(6)      2_654  .      3_445  N
  Ru2       Ba1       O1                34.00(5)      2_654  .      3_545  N
  Ru2       Ba1       O1                92.60(7)      2_654  .      5_655  N
  Ru2       Ba1       O1                92.60(7)      2_654  .      5_665  N
  Ru2       Ba1       O2                87.80(4)      2_654  .      1_465  N
  Ru2       Ba1       O2                87.80(4)      2_654  .      3_435  N
  Ru2       Ba1       O2                34.67(7)      2_654  .      5_765  N
  Ru2       Ba1       O2                77.12(7)      2_654  .     -2_765  N
  Ru2       Ba1       O2             124.130(17)      2_654  .     -4_465  N
  Ru2       Ba1       Ru2             107.670(9)     -1_556  .     -1_566  N
  Ru2       Ba1       Ru2             107.660(9)     -1_556  .     -1_666  N
  Ru2       Ba1       O1                34.00(5)     -1_556  .      1_455  N
  Ru2       Ba1       O1               141.59(6)     -1_556  .      1_565  N
  Ru2       Ba1       O1                92.60(7)     -1_556  .      3_445  N
  Ru2       Ba1       O1                92.60(7)     -1_556  .      3_545  N
  Ru2       Ba1       O1                34.00(5)     -1_556  .      5_655  N
  Ru2       Ba1       O1               141.60(6)     -1_556  .      5_665  N
  Ru2       Ba1       O2             124.131(17)     -1_556  .      1_465  N
  Ru2       Ba1       O2                77.11(7)     -1_556  .      3_435  N
  Ru2       Ba1       O2             124.125(17)     -1_556  .      5_765  N
  Ru2       Ba1       O2                87.80(4)     -1_556  .     -2_765  N
  Ru2       Ba1       O2                87.80(4)     -1_556  .     -4_465  N
  Ru2       Ba1       Ru2             107.670(9)     -1_566  .     -1_666  N
  Ru2       Ba1       O1                92.60(7)     -1_566  .      1_455  N
  Ru2       Ba1       O1                92.60(7)     -1_566  .      1_565  N
  Ru2       Ba1       O1                34.00(5)     -1_566  .      3_445  N
  Ru2       Ba1       O1               141.60(6)     -1_566  .      3_545  N
  Ru2       Ba1       O1               141.60(6)     -1_566  .      5_655  N
  Ru2       Ba1       O1                34.00(5)     -1_566  .      5_665  N
  Ru2       Ba1       O2                77.12(7)     -1_566  .      1_465  N
  Ru2       Ba1       O2             124.130(17)     -1_566  .      3_435  N
  Ru2       Ba1       O2             124.130(17)     -1_566  .      5_765  N
  Ru2       Ba1       O2                87.80(4)     -1_566  .     -2_765  N
  Ru2       Ba1       O2                34.67(7)     -1_566  .     -4_465  N
  Ru2       Ba1       O1               141.59(6)     -1_666  .      1_455  N
  Ru2       Ba1       O1                34.00(5)     -1_666  .      1_565  N
  Ru2       Ba1       O1               141.60(6)     -1_666  .      3_445  N
  Ru2       Ba1       O1                34.00(5)     -1_666  .      3_545  N
  Ru2       Ba1       O1                92.60(7)     -1_666  .      5_655  N
  Ru2       Ba1       O1                92.60(7)     -1_666  .      5_665  N
  Ru2       Ba1       O2             124.131(17)     -1_666  .      1_465  N
  Ru2       Ba1       O2             124.125(17)     -1_666  .      3_435  N
  Ru2       Ba1       O2                77.11(7)     -1_666  .      5_765  N
  Ru2       Ba1       O2                34.67(7)     -1_666  .     -2_765  N
  Ru2       Ba1       O2                87.80(4)     -1_666  .     -4_465  N
  O1        Ba1       O1              174.42(14)      1_455  .      1_565  N
  O1        Ba1       O1               65.58(14)      1_455  .      3_445  N
  O1        Ba1       O1                   120.0      1_455  .      3_545  N
  O1        Ba1       O1               54.42(14)      1_455  .      5_655  N
  O1        Ba1       O1                   120.0      1_455  .      5_665  N
  O1        Ba1       O2                91.56(4)      1_455  .      1_465  N
  O1        Ba1       O2                60.09(6)      1_455  .      3_435  N
  O1        Ba1       O2               118.12(6)      1_455  .      5_765  N
  O1        Ba1       O2               118.12(6)      1_455  .     -2_765  N
  O1        Ba1       O2                91.56(4)      1_455  .     -4_465  N
  O1        Ba1       O1                   120.0      1_565  .      3_445  N
  O1        Ba1       O1               54.42(14)      1_565  .      3_545  N
  O1        Ba1       O1                   120.0      1_565  .      5_655  N
  O1        Ba1       O1               65.58(14)      1_565  .      5_665  N
  O1        Ba1       O2                91.56(4)      1_565  .      1_465  N
  O1        Ba1       O2               118.12(6)      1_565  .      3_435  N
  O1        Ba1       O2                60.09(6)      1_565  .      5_765  N
  O1        Ba1       O2                60.09(6)      1_565  .     -2_765  N
  O1        Ba1       O2                91.56(4)      1_565  .     -4_465  N
  O1        Ba1       O1              174.42(14)      3_445  .      3_545  N
  O1        Ba1       O1                   120.0      3_445  .      5_655  N
  O1        Ba1       O1               54.42(14)      3_445  .      5_665  N
  O1        Ba1       O2                60.09(6)      3_445  .      1_465  N
  O1        Ba1       O2                91.56(4)      3_445  .      3_435  N
  O1        Ba1       O2               118.12(6)      3_445  .      5_765  N
  O1        Ba1       O2               118.12(6)      3_445  .     -2_765  N
  O1        Ba1       O2                60.09(6)      3_445  .     -4_465  N
  O1        Ba1       O1               65.58(14)      3_545  .      5_655  N
  O1        Ba1       O1                   120.0      3_545  .      5_665  N
  O1        Ba1       O2               118.12(6)      3_545  .      1_465  N
  O1        Ba1       O2                91.56(4)      3_545  .      3_435  N
  O1        Ba1       O2                60.09(6)      3_545  .      5_765  N
  O1        Ba1       O2                60.09(6)      3_545  .     -2_765  N
  O1        Ba1       O2               118.12(6)      3_545  .     -4_465  N
  O1        Ba1       O1              174.42(14)      5_655  .      5_665  N
  O1        Ba1       O2               118.12(6)      5_655  .      1_465  N
  O1        Ba1       O2                60.09(6)      5_655  .      3_435  N
  O1        Ba1       O2                91.56(4)      5_655  .      5_765  N
  O1        Ba1       O2                91.56(4)      5_655  .     -2_765  N
  O1        Ba1       O2               118.12(6)      5_655  .     -4_465  N
  O1        Ba1       O2                60.09(6)      5_665  .      1_465  N
  O1        Ba1       O2               118.12(6)      5_665  .      3_435  N
  O1        Ba1       O2                91.56(4)      5_665  .      5_765  N
  O1        Ba1       O2                91.56(4)      5_665  .     -2_765  N
  O1        Ba1       O2                60.09(6)      5_665  .     -4_465  N
  O2        Ba1       O2               58.10(12)      1_465  .      3_435  N
  O2        Ba1       O2               58.10(12)      1_465  .      5_765  N
  O2        Ba1       O2               147.44(6)      1_465  .     -2_765  N
  O2        Ba1       O2              111.79(14)      1_465  .     -4_465  N
  O2        Ba1       O2               58.10(12)      3_435  .      5_765  N
  O2        Ba1       O2               147.44(6)      3_435  .     -2_765  N
  O2        Ba1       O2               147.44(6)      3_435  .     -4_465  N
  O2        Ba1       O2              111.79(14)      5_765  .     -2_765  N
  O2        Ba1       O2               147.44(6)      5_765  .     -4_465  N
  O2        Ba1       O2               58.10(12)     -2_765  .     -4_465  N
  Ba1       Ba2       Ba1              91.352(7)      1_555  .      1_565  N
  Ba1       Ba2       Ba1              91.346(7)      1_555  .      1_665  N
  Ba1       Ba2       Ba2            90.8280(30)      1_555  .     -1_565  N
  Ba1       Ba2       Ba2            90.8222(30)      1_555  .     -1_665  N
  Ba1       Ba2       Ba2            176.875(15)      1_555  .     -1_675  N
  Ba1       Ba2       Ru1            55.2390(15)      1_555  .      1_555  N
  Ba1       Ba2       Ru1           125.9602(29)      1_555  .      1_565  N
  Ba1       Ba2       Ru1           125.9466(29)      1_555  .      1_665  N
  Ba1       Ba2       Ru2              56.275(5)      1_555  .      2_554  N
  Ba1       Ba2       Ru2              56.267(5)      1_555  .      2_654  N
  Ba1       Ba2       Ru2            129.315(14)      1_555  .      2_664  N
  Ba1       Ba2       Ru2             124.302(5)      1_555  .     -2_565  N
  Ba1       Ba2       O1               45.716(4)      1_555  .      1_565  N
  Ba1       Ba2       O1                94.17(6)      1_555  .      3_555  N
  Ba1       Ba2       O1               45.716(4)      1_555  .      5_665  N
  Ba1       Ba2       O2                46.15(6)      1_555  .      1_465  N
  Ba1       Ba2       O2               137.41(6)      1_555  .      1_575  N
  Ba1       Ba2       O2                92.09(7)      1_555  .      3_445  N
  Ba1       Ba2       O2                92.08(7)      1_555  .      3_545  N
  Ba1       Ba2       O2                46.15(6)      1_555  .      5_765  N
  Ba1       Ba2       O2               137.43(6)      1_555  .      5_775  N
  Ba1       Ba2       O2              134.317(4)      1_555  .     -1_655  N
  Ba1       Ba2       O2                89.13(7)      1_555  .     -3_675  N
  Ba1       Ba2       O2              134.306(4)      1_555  .     -5_455  N
  Ba1       Ba2       Ba1              91.352(7)      1_565  .      1_665  N
  Ba1       Ba2       Ba2            90.8394(30)      1_565  .     -1_565  N
  Ba1       Ba2       Ba2            176.888(15)      1_565  .     -1_665  N
  Ba1       Ba2       Ba2            90.8394(30)      1_565  .     -1_675  N
  Ba1       Ba2       Ru1           125.9591(29)      1_565  .      1_555  N
  Ba1       Ba2       Ru1            55.2459(15)      1_565  .      1_565  N
  Ba1       Ba2       Ru1           125.9591(29)      1_565  .      1_665  N
  Ba1       Ba2       Ru2              56.279(5)      1_565  .      2_554  N
  Ba1       Ba2       Ru2            129.313(14)      1_565  .      2_654  N
  Ba1       Ba2       Ru2              56.274(5)      1_565  .      2_664  N
  Ba1       Ba2       Ru2             124.314(5)      1_565  .     -2_565  N
  Ba1       Ba2       O1                94.17(6)      1_565  .      1_565  N
  Ba1       Ba2       O1               45.722(4)      1_565  .      3_555  N
  Ba1       Ba2       O1               45.722(4)      1_565  .      5_665  N
  Ba1       Ba2       O2                92.09(7)      1_565  .      1_465  N
  Ba1       Ba2       O2                92.09(7)      1_565  .      1_575  N
  Ba1       Ba2       O2                46.16(6)      1_565  .      3_445  N
  Ba1       Ba2       O2               137.42(6)      1_565  .      3_545  N
  Ba1       Ba2       O2               137.42(6)      1_565  .      5_765  N
  Ba1       Ba2       O2                46.16(6)      1_565  .      5_775  N
  Ba1       Ba2       O2                89.15(7)      1_565  .     -1_655  N
  Ba1       Ba2       O2              134.323(4)      1_565  .     -3_675  N
  Ba1       Ba2       O2              134.323(4)      1_565  .     -5_455  N
  Ba1       Ba2       Ba2            176.875(15)      1_665  .     -1_565  N
  Ba1       Ba2       Ba2            90.8222(30)      1_665  .     -1_665  N
  Ba1       Ba2       Ba2            90.8280(30)      1_665  .     -1_675  N
  Ba1       Ba2       Ru1           125.9466(29)      1_665  .      1_555  N
  Ba1       Ba2       Ru1           125.9602(29)      1_665  .      1_565  N
  Ba1       Ba2       Ru1            55.2390(15)      1_665  .      1_665  N
  Ba1       Ba2       Ru2            129.317(14)      1_665  .      2_554  N
  Ba1       Ba2       Ru2              56.275(5)      1_665  .      2_654  N
  Ba1       Ba2       Ru2              56.278(5)      1_665  .      2_664  N
  Ba1       Ba2       Ru2             124.294(5)      1_665  .     -2_565  N
  Ba1       Ba2       O1               45.716(4)      1_665  .      1_565  N
  Ba1       Ba2       O1               45.716(4)      1_665  .      3_555  N
  Ba1       Ba2       O1                94.17(6)      1_665  .      5_665  N
  Ba1       Ba2       O2               137.41(6)      1_665  .      1_465  N
  Ba1       Ba2       O2                46.15(6)      1_665  .      1_575  N
  Ba1       Ba2       O2               137.43(6)      1_665  .      3_445  N
  Ba1       Ba2       O2                46.15(6)      1_665  .      3_545  N
  Ba1       Ba2       O2                92.08(7)      1_665  .      5_765  N
  Ba1       Ba2       O2                92.09(7)      1_665  .      5_775  N
  Ba1       Ba2       O2              134.317(4)      1_665  .     -1_655  N
  Ba1       Ba2       O2              134.306(4)      1_665  .     -3_675  N
  Ba1       Ba2       O2                89.13(7)      1_665  .     -5_455  N
  Ba2       Ba2       Ba2             86.903(14)     -1_565  .     -1_665  N
  Ba2       Ba2       Ba2             86.913(14)     -1_565  .     -1_675  N
  Ba2       Ba2       Ru1            53.9795(35)     -1_565  .      1_555  N
  Ba2       Ba2       Ru1            53.9898(35)     -1_565  .      1_565  N
  Ba2       Ba2       Ru1            121.636(16)     -1_565  .      1_665  N
  Ba2       Ba2       Ru2              53.808(9)     -1_565  .      2_554  N
  Ba2       Ba2       Ru2             123.516(6)     -1_565  .      2_654  N
  Ba2       Ba2       Ru2             123.537(6)     -1_565  .      2_664  N
  Ba2       Ba2       Ru2             52.581(10)     -1_565  .     -2_565  N
  Ba2       Ba2       O1              136.283(8)     -1_565  .      1_565  N
  Ba2       Ba2       O1              136.301(8)     -1_565  .      3_555  N
  Ba2       Ba2       O1                88.96(6)     -1_565  .      5_665  N
  Ba2       Ba2       O2                44.68(6)     -1_565  .      1_465  N
  Ba2       Ba2       O2               131.53(6)     -1_565  .      1_575  N
  Ba2       Ba2       O2                44.69(6)     -1_565  .      3_445  N
  Ba2       Ba2       O2               131.51(6)     -1_565  .      3_545  N
  Ba2       Ba2       O2                87.81(7)     -1_565  .      5_765  N
  Ba2       Ba2       O2                87.83(7)     -1_565  .      5_775  N
  Ba2       Ba2       O2               43.494(7)     -1_565  .     -1_655  N
  Ba2       Ba2       O2               43.488(7)     -1_565  .     -3_675  N
  Ba2       Ba2       O2                87.74(7)     -1_565  .     -5_455  N
  Ba2       Ba2       Ba2             86.903(14)     -1_665  .     -1_675  N
  Ba2       Ba2       Ru1            53.9795(35)     -1_665  .      1_555  N
  Ba2       Ba2       Ru1            121.642(16)     -1_665  .      1_565  N
  Ba2       Ba2       Ru1            53.9795(35)     -1_665  .      1_665  N
  Ba2       Ba2       Ru2             123.525(6)     -1_665  .      2_554  N
  Ba2       Ba2       Ru2              53.799(9)     -1_665  .      2_654  N
  Ba2       Ba2       Ru2             123.530(6)     -1_665  .      2_664  N
  Ba2       Ba2       Ru2             52.573(10)     -1_665  .     -2_565  N
  Ba2       Ba2       O1                88.94(6)     -1_665  .      1_565  N
  Ba2       Ba2       O1              136.279(8)     -1_665  .      3_555  N
  Ba2       Ba2       O1              136.279(8)     -1_665  .      5_665  N
  Ba2       Ba2       O2                87.81(7)     -1_665  .      1_465  N
  Ba2       Ba2       O2                87.81(7)     -1_665  .      1_575  N
  Ba2       Ba2       O2               131.52(6)     -1_665  .      3_445  N
  Ba2       Ba2       O2                44.68(6)     -1_665  .      3_545  N
  Ba2       Ba2       O2                44.68(6)     -1_665  .      5_765  N
  Ba2       Ba2       O2               131.52(6)     -1_665  .      5_775  N
  Ba2       Ba2       O2                87.74(7)     -1_665  .     -1_655  N
  Ba2       Ba2       O2               43.488(7)     -1_665  .     -3_675  N
  Ba2       Ba2       O2               43.488(7)     -1_665  .     -5_455  N
  Ba2       Ba2       Ru1            121.636(16)     -1_675  .      1_555  N
  Ba2       Ba2       Ru1            53.9898(35)     -1_675  .      1_565  N
  Ba2       Ba2       Ru1            53.9795(35)     -1_675  .      1_665  N
  Ba2       Ba2       Ru2             123.540(6)     -1_675  .      2_554  N
  Ba2       Ba2       Ru2             123.524(6)     -1_675  .      2_654  N
  Ba2       Ba2       Ru2              53.810(9)     -1_675  .      2_664  N
  Ba2       Ba2       Ru2             52.573(10)     -1_675  .     -2_565  N
  Ba2       Ba2       O1              136.283(8)     -1_675  .      1_565  N
  Ba2       Ba2       O1                88.96(6)     -1_675  .      3_555  N
  Ba2       Ba2       O1              136.301(8)     -1_675  .      5_665  N
  Ba2       Ba2       O2               131.53(6)     -1_675  .      1_465  N
  Ba2       Ba2       O2                44.68(6)     -1_675  .      1_575  N
  Ba2       Ba2       O2                87.83(7)     -1_675  .      3_445  N
  Ba2       Ba2       O2                87.81(7)     -1_675  .      3_545  N
  Ba2       Ba2       O2               131.51(6)     -1_675  .      5_765  N
  Ba2       Ba2       O2                44.69(6)     -1_675  .      5_775  N
  Ba2       Ba2       O2               43.494(7)     -1_675  .     -1_655  N
  Ba2       Ba2       O2                87.74(7)     -1_675  .     -3_675  N
  Ba2       Ba2       O2               43.488(7)     -1_675  .     -5_455  N
  Ru1       Ba2       Ru1             107.969(7)      1_555  .      1_565  N
  Ru1       Ba2       Ru1             107.959(7)      1_555  .      1_665  N
  Ru1       Ba2       Ru2              69.680(4)      1_555  .      2_554  N
  Ru1       Ba2       Ru2              69.672(4)      1_555  .      2_654  N
  Ru1       Ba2       Ru2            175.446(15)      1_555  .      2_664  N
  Ru1       Ba2       Ru2              69.063(7)      1_555  .     -2_565  N
  Ru1       Ba2       O1              89.376(32)      1_555  .      1_565  N
  Ru1       Ba2       O1               149.41(6)      1_555  .      3_555  N
  Ru1       Ba2       O1              89.381(32)      1_555  .      5_665  N
  Ru1       Ba2       O2                33.87(7)      1_555  .      1_465  N
  Ru1       Ba2       O2               141.76(7)      1_555  .      1_575  N
  Ru1       Ba2       O2                89.66(8)      1_555  .      3_445  N
  Ru1       Ba2       O2                89.65(8)      1_555  .      3_545  N
  Ru1       Ba2       O2                33.87(7)      1_555  .      5_765  N
  Ru1       Ba2       O2               141.77(7)      1_555  .      5_775  N
  Ru1       Ba2       O2                88.67(4)      1_555  .     -1_655  N
  Ru1       Ba2       O2                33.90(7)      1_555  .     -3_675  N
  Ru1       Ba2       O2                88.67(4)      1_555  .     -5_455  N
  Ru1       Ba2       Ru1             107.969(7)      1_565  .      1_665  N
  Ru1       Ba2       Ru2              69.686(4)      1_565  .      2_554  N
  Ru1       Ba2       Ru2            175.441(15)      1_565  .      2_654  N
  Ru1       Ba2       Ru2              69.683(4)      1_565  .      2_664  N
  Ru1       Ba2       Ru2              69.069(7)      1_565  .     -2_565  N
  Ru1       Ba2       O1               149.42(6)      1_565  .      1_565  N
  Ru1       Ba2       O1              89.390(32)      1_565  .      3_555  N
  Ru1       Ba2       O1              89.390(32)      1_565  .      5_665  N
  Ru1       Ba2       O2                89.67(8)      1_565  .      1_465  N
  Ru1       Ba2       O2                89.67(8)      1_565  .      1_575  N
  Ru1       Ba2       O2                33.88(7)      1_565  .      3_445  N
  Ru1       Ba2       O2               141.77(7)      1_565  .      3_545  N
  Ru1       Ba2       O2               141.77(7)      1_565  .      5_765  N
  Ru1       Ba2       O2                33.88(7)      1_565  .      5_775  N
  Ru1       Ba2       O2                33.90(7)      1_565  .     -1_655  N
  Ru1       Ba2       O2                88.68(4)      1_565  .     -3_675  N
  Ru1       Ba2       O2                88.68(4)      1_565  .     -5_455  N
  Ru1       Ba2       Ru2            175.444(15)      1_665  .      2_554  N
  Ru1       Ba2       Ru2              69.680(4)      1_665  .      2_654  N
  Ru1       Ba2       Ru2              69.686(4)      1_665  .      2_664  N
  Ru1       Ba2       Ru2              69.055(7)      1_665  .     -2_565  N
  Ru1       Ba2       O1              89.376(32)      1_665  .      1_565  N
  Ru1       Ba2       O1              89.381(32)      1_665  .      3_555  N
  Ru1       Ba2       O1               149.41(6)      1_665  .      5_665  N
  Ru1       Ba2       O2               141.76(7)      1_665  .      1_465  N
  Ru1       Ba2       O2                33.87(7)      1_665  .      1_575  N
  Ru1       Ba2       O2               141.77(7)      1_665  .      3_445  N
  Ru1       Ba2       O2                33.87(7)      1_665  .      3_545  N
  Ru1       Ba2       O2                89.65(8)      1_665  .      5_765  N
  Ru1       Ba2       O2                89.66(8)      1_665  .      5_775  N
  Ru1       Ba2       O2                88.67(4)      1_665  .     -1_655  N
  Ru1       Ba2       O2                88.67(4)      1_665  .     -3_675  N
  Ru1       Ba2       O2                33.90(7)      1_665  .     -5_455  N
  Ru2       Ba2       Ru2             112.368(9)      2_554  .      2_654  N
  Ru2       Ba2       Ru2             112.380(9)      2_554  .      2_664  N
  Ru2       Ba2       Ru2            106.389(10)      2_554  .     -2_565  N
  Ru2       Ba2       O1              94.455(33)      2_554  .      1_565  N
  Ru2       Ba2       O1              94.461(33)      2_554  .      3_555  N
  Ru2       Ba2       O1                35.15(5)      2_554  .      5_665  N
  Ru2       Ba2       O2                35.82(7)      2_554  .      1_465  N
  Ru2       Ba2       O2               148.10(7)      2_554  .      1_575  N
  Ru2       Ba2       O2                35.82(7)      2_554  .      3_445  N
  Ru2       Ba2       O2               148.08(7)      2_554  .      3_545  N
  Ru2       Ba2       O2                90.11(8)      2_554  .      5_765  N
  Ru2       Ba2       O2                90.12(8)      2_554  .      5_775  N
  Ru2       Ba2       O2                87.38(4)      2_554  .     -1_655  N
  Ru2       Ba2       O2                87.38(4)      2_554  .     -3_675  N
  Ru2       Ba2       O2               141.55(7)      2_554  .     -5_455  N
  Ru2       Ba2       Ru2             112.380(9)      2_654  .      2_664  N
  Ru2       Ba2       Ru2            106.372(10)      2_654  .     -2_565  N
  Ru2       Ba2       O1                35.14(5)      2_654  .      1_565  N
  Ru2       Ba2       O1              94.451(33)      2_654  .      3_555  N
  Ru2       Ba2       O1              94.446(33)      2_654  .      5_665  N
  Ru2       Ba2       O2                90.11(8)      2_654  .      1_465  N
  Ru2       Ba2       O2                90.11(8)      2_654  .      1_575  N
  Ru2       Ba2       O2               148.08(7)      2_654  .      3_445  N
  Ru2       Ba2       O2                35.82(7)      2_654  .      3_545  N
  Ru2       Ba2       O2                35.81(7)      2_654  .      5_765  N
  Ru2       Ba2       O2               148.09(7)      2_654  .      5_775  N
  Ru2       Ba2       O2               141.54(7)      2_654  .     -1_655  N
  Ru2       Ba2       O2                87.37(4)      2_654  .     -3_675  N
  Ru2       Ba2       O2                87.38(4)      2_654  .     -5_455  N
  Ru2       Ba2       Ru2            106.383(10)      2_664  .     -2_565  N
  Ru2       Ba2       O1              94.455(33)      2_664  .      1_565  N
  Ru2       Ba2       O1                35.15(5)      2_664  .      3_555  N
  Ru2       Ba2       O1              94.456(33)      2_664  .      5_665  N
  Ru2       Ba2       O2               148.09(7)      2_664  .      1_465  N
  Ru2       Ba2       O2                35.82(7)      2_664  .      1_575  N
  Ru2       Ba2       O2                90.12(8)      2_664  .      3_445  N
  Ru2       Ba2       O2                90.12(8)      2_664  .      3_545  N
  Ru2       Ba2       O2               148.09(7)      2_664  .      5_765  N
  Ru2       Ba2       O2                35.82(7)      2_664  .      5_775  N
  Ru2       Ba2       O2                87.38(4)      2_664  .     -1_655  N
  Ru2       Ba2       O2               141.55(7)      2_664  .     -3_675  N
  Ru2       Ba2       O2                87.38(4)      2_664  .     -5_455  N
  Ru2       Ba2       O1               141.51(6)     -2_565  .      1_565  N
  Ru2       Ba2       O1               141.53(6)     -2_565  .      3_555  N
  Ru2       Ba2       O1               141.54(6)     -2_565  .      5_665  N
  Ru2       Ba2       O2                87.29(5)     -2_565  .      1_465  N
  Ru2       Ba2       O2                87.28(5)     -2_565  .      1_575  N
  Ru2       Ba2       O2                87.30(5)     -2_565  .      3_445  N
  Ru2       Ba2       O2                87.28(5)     -2_565  .      3_545  N
  Ru2       Ba2       O2                87.29(5)     -2_565  .      5_765  N
  Ru2       Ba2       O2                87.29(5)     -2_565  .      5_775  N
  Ru2       Ba2       O2                35.17(7)     -2_565  .     -1_655  N
  Ru2       Ba2       O2                35.17(7)     -2_565  .     -3_675  N
  Ru2       Ba2       O2                35.16(7)     -2_565  .     -5_455  N
  O1        Ba2       O1                65.20(9)      1_565  .      3_555  N
  O1        Ba2       O1                65.20(9)      1_565  .      5_665  N
  O1        Ba2       O2                91.70(6)      1_565  .      1_465  N
  O1        Ba2       O2                91.70(6)      1_565  .      1_575  N
  O1        Ba2       O2               125.37(7)      1_565  .      3_445  N
  O1        Ba2       O2                60.16(7)      1_565  .      3_545  N
  O1        Ba2       O2                60.16(7)      1_565  .      5_765  N
  O1        Ba2       O2               125.37(7)      1_565  .      5_775  N
  O1        Ba2       O2               176.68(9)      1_565  .     -1_655  N
  O1        Ba2       O2               117.43(7)      1_565  .     -3_675  N
  O1        Ba2       O2               117.43(7)      1_565  .     -5_455  N
  O1        Ba2       O1                65.21(9)      3_555  .      5_665  N
  O1        Ba2       O2               125.37(7)      3_555  .      1_465  N
  O1        Ba2       O2                60.17(7)      3_555  .      1_575  N
  O1        Ba2       O2                91.71(6)      3_555  .      3_445  N
  O1        Ba2       O2                91.70(6)      3_555  .      3_545  N
  O1        Ba2       O2               125.36(7)      3_555  .      5_765  N
  O1        Ba2       O2                60.17(7)      3_555  .      5_775  N
  O1        Ba2       O2               117.45(7)      3_555  .     -1_655  N
  O1        Ba2       O2               176.70(9)      3_555  .     -3_675  N
  O1        Ba2       O2               117.44(7)      3_555  .     -5_455  N
  O1        Ba2       O2                60.17(7)      5_665  .      1_465  N
  O1        Ba2       O2               125.37(7)      5_665  .      1_575  N
  O1        Ba2       O2                60.17(7)      5_665  .      3_445  N
  O1        Ba2       O2               125.36(7)      5_665  .      3_545  N
  O1        Ba2       O2                91.70(6)      5_665  .      5_765  N
  O1        Ba2       O2                91.71(6)      5_665  .      5_775  N
  O1        Ba2       O2               117.45(7)      5_665  .     -1_655  N
  O1        Ba2       O2               117.44(7)      5_665  .     -3_675  N
  O1        Ba2       O2               176.70(9)      5_665  .     -5_455  N
  O2        Ba2       O2              174.41(11)      1_465  .      1_575  N
  O2        Ba2       O2               61.28(16)      1_465  .      3_445  N
  O2        Ba2       O2              119.768(9)      1_465  .      3_545  N
  O2        Ba2       O2               58.57(16)      1_465  .      5_765  N
  O2        Ba2       O2              119.788(9)      1_465  .      5_775  N
  O2        Ba2       O2                88.18(6)      1_465  .     -1_655  N
  O2        Ba2       O2               57.30(11)      1_465  .     -3_675  N
  O2        Ba2       O2               117.13(4)      1_465  .     -5_455  N
  O2        Ba2       O2              119.788(9)      1_575  .      3_445  N
  O2        Ba2       O2               58.57(16)      1_575  .      3_545  N
  O2        Ba2       O2              119.768(9)      1_575  .      5_765  N
  O2        Ba2       O2               61.28(16)      1_575  .      5_775  N
  O2        Ba2       O2                88.18(6)      1_575  .     -1_655  N
  O2        Ba2       O2               117.13(4)      1_575  .     -3_675  N
  O2        Ba2       O2               57.30(11)      1_575  .     -5_455  N
  O2        Ba2       O2              174.41(11)      3_445  .      3_545  N
  O2        Ba2       O2              119.778(9)      3_445  .      5_765  N
  O2        Ba2       O2               58.58(16)      3_445  .      5_775  N
  O2        Ba2       O2               57.31(11)      3_445  .     -1_655  N
  O2        Ba2       O2                88.18(6)      3_445  .     -3_675  N
  O2        Ba2       O2               117.14(4)      3_445  .     -5_455  N
  O2        Ba2       O2               61.27(16)      3_545  .      5_765  N
  O2        Ba2       O2              119.778(9)      3_545  .      5_775  N
  O2        Ba2       O2               117.13(4)      3_545  .     -1_655  N
  O2        Ba2       O2                88.17(6)      3_545  .     -3_675  N
  O2        Ba2       O2               57.30(11)      3_545  .     -5_455  N
  O2        Ba2       O2              174.41(11)      5_765  .      5_775  N
  O2        Ba2       O2               117.13(4)      5_765  .     -1_655  N
  O2        Ba2       O2               57.30(11)      5_765  .     -3_675  N
  O2        Ba2       O2                88.17(6)      5_765  .     -5_455  N
  O2        Ba2       O2               57.31(11)      5_775  .     -1_655  N
  O2        Ba2       O2               117.14(4)      5_775  .     -3_675  N
  O2        Ba2       O2                88.18(6)      5_775  .     -5_455  N
  O2        Ba2       O2               59.84(11)     -1_655  .     -3_675  N
  O2        Ba2       O2               59.84(11)     -1_655  .     -5_455  N
  O2        Ba2       O2               59.84(11)     -3_675  .     -5_455  N
  Ba1       Ru1       Ba1                  180.0      1_555  .      2_554  N
  Ba1       Ru1       Ba2              69.063(7)      1_555  .      1_445  N
  Ba1       Ru1       Ba2              69.061(7)      1_555  .      1_545  N
  Ba1       Ru1       Ba2              69.063(7)      1_555  .      1_555  N
  Ba1       Ru1       Ba2             110.937(7)      1_555  .     -1_555  N
  Ba1       Ru1       Ba2             110.939(7)      1_555  .     -1_565  N
  Ba1       Ru1       Ba2             110.937(7)      1_555  .     -1_665  N
  Ba1       Ru1       O2                55.11(9)      1_555  .      1_465  N
  Ba1       Ru1       O2                55.11(9)      1_555  .      3_435  N
  Ba1       Ru1       O2                55.11(9)      1_555  .      5_765  N
  Ba1       Ru1       O2               124.89(9)      1_555  .     -1_645  N
  Ba1       Ru1       O2               124.89(9)      1_555  .     -3_675  N
  Ba1       Ru1       O2               124.89(9)      1_555  .     -5_345  N
  Ba1       Ru1       Ba2             110.937(7)      2_554  .      1_445  N
  Ba1       Ru1       Ba2             110.939(7)      2_554  .      1_545  N
  Ba1       Ru1       Ba2             110.937(7)      2_554  .      1_555  N
  Ba1       Ru1       Ba2              69.063(7)      2_554  .     -1_555  N
  Ba1       Ru1       Ba2              69.061(7)      2_554  .     -1_565  N
  Ba1       Ru1       Ba2              69.063(7)      2_554  .     -1_665  N
  Ba1       Ru1       O2               124.89(9)      2_554  .      1_465  N
  Ba1       Ru1       O2               124.89(9)      2_554  .      3_435  N
  Ba1       Ru1       O2               124.89(9)      2_554  .      5_765  N
  Ba1       Ru1       O2                55.11(9)      2_554  .     -1_645  N
  Ba1       Ru1       O2                55.11(9)      2_554  .     -3_675  N
  Ba1       Ru1       O2                55.11(9)      2_554  .     -5_345  N
  Ba2       Ru1       Ba2             107.969(7)      1_445  .      1_545  N
  Ba2       Ru1       Ba2             107.959(7)      1_445  .      1_555  N
  Ba2       Ru1       Ba2              72.041(7)      1_445  .     -1_555  N
  Ba2       Ru1       Ba2              72.031(7)      1_445  .     -1_565  N
  Ba2       Ru1       Ba2                  180.0      1_445  .     -1_665  N
  Ba2       Ru1       O2               54.020(5)      1_445  .      1_465  N
  Ba2       Ru1       O2               54.028(5)      1_445  .      3_435  N
  Ba2       Ru1       O2               124.17(9)      1_445  .      5_765  N
  Ba2       Ru1       O2              125.980(5)      1_445  .     -1_645  N
  Ba2       Ru1       O2              125.972(5)      1_445  .     -3_675  N
  Ba2       Ru1       O2                55.83(9)      1_445  .     -5_345  N
  Ba2       Ru1       Ba2             107.969(7)      1_545  .      1_555  N
  Ba2       Ru1       Ba2              72.031(7)      1_545  .     -1_555  N
  Ba2       Ru1       Ba2                  180.0      1_545  .     -1_565  N
  Ba2       Ru1       Ba2              72.031(7)      1_545  .     -1_665  N
  Ba2       Ru1       O2               124.17(9)      1_545  .      1_465  N
  Ba2       Ru1       O2               54.023(5)      1_545  .      3_435  N
  Ba2       Ru1       O2               54.023(5)      1_545  .      5_765  N
  Ba2       Ru1       O2                55.83(9)      1_545  .     -1_645  N
  Ba2       Ru1       O2              125.977(5)      1_545  .     -3_675  N
  Ba2       Ru1       O2              125.977(5)      1_545  .     -5_345  N
  Ba2       Ru1       Ba2                  180.0      1_555  .     -1_555  N
  Ba2       Ru1       Ba2              72.031(7)      1_555  .     -1_565  N
  Ba2       Ru1       Ba2              72.041(7)      1_555  .     -1_665  N
  Ba2       Ru1       O2               54.020(5)      1_555  .      1_465  N
  Ba2       Ru1       O2               124.17(9)      1_555  .      3_435  N
  Ba2       Ru1       O2               54.028(5)      1_555  .      5_765  N
  Ba2       Ru1       O2              125.980(5)      1_555  .     -1_645  N
  Ba2       Ru1       O2                55.83(9)      1_555  .     -3_675  N
  Ba2       Ru1       O2              125.972(5)      1_555  .     -5_345  N
  Ba2       Ru1       Ba2             107.969(7)     -1_555  .     -1_565  N
  Ba2       Ru1       Ba2             107.959(7)     -1_555  .     -1_665  N
  Ba2       Ru1       O2              125.980(5)     -1_555  .      1_465  N
  Ba2       Ru1       O2                55.83(9)     -1_555  .      3_435  N
  Ba2       Ru1       O2              125.972(5)     -1_555  .      5_765  N
  Ba2       Ru1       O2               54.020(5)     -1_555  .     -1_645  N
  Ba2       Ru1       O2               124.17(9)     -1_555  .     -3_675  N
  Ba2       Ru1       O2               54.028(5)     -1_555  .     -5_345  N
  Ba2       Ru1       Ba2             107.969(7)     -1_565  .     -1_665  N
  Ba2       Ru1       O2                55.83(9)     -1_565  .      1_465  N
  Ba2       Ru1       O2              125.977(5)     -1_565  .      3_435  N
  Ba2       Ru1       O2              125.977(5)     -1_565  .      5_765  N
  Ba2       Ru1       O2               124.17(9)     -1_565  .     -1_645  N
  Ba2       Ru1       O2               54.023(5)     -1_565  .     -3_675  N
  Ba2       Ru1       O2               54.023(5)     -1_565  .     -5_345  N
  Ba2       Ru1       O2              125.980(5)     -1_665  .      1_465  N
  Ba2       Ru1       O2              125.972(5)     -1_665  .      3_435  N
  Ba2       Ru1       O2                55.83(9)     -1_665  .      5_765  N
  Ba2       Ru1       O2               54.020(5)     -1_665  .     -1_645  N
  Ba2       Ru1       O2               54.028(5)     -1_665  .     -3_675  N
  Ba2       Ru1       O2               124.17(9)     -1_665  .     -5_345  N
  O2        Ru1       O2               90.52(13)      1_465  .      3_435  N
  O2        Ru1       O2               90.52(13)      1_465  .      5_765  N
  O2        Ru1       O2                   180.0      1_465  .     -1_645  N
  O2        Ru1       O2               89.48(13)      1_465  .     -3_675  N
  O2        Ru1       O2               89.48(13)      1_465  .     -5_345  N
  O2        Ru1       O2               90.52(13)      3_435  .      5_765  N
  O2        Ru1       O2               89.48(13)      3_435  .     -1_645  N
  O2        Ru1       O2                   180.0      3_435  .     -3_675  N
  O2        Ru1       O2               89.48(13)      3_435  .     -5_345  N
  O2        Ru1       O2               89.48(13)      5_765  .     -1_645  N
  O2        Ru1       O2               89.48(13)      5_765  .     -3_675  N
  O2        Ru1       O2                   180.0      5_765  .     -5_345  N
  O2        Ru1       O2               90.52(13)     -1_645  .     -3_675  N
  O2        Ru1       O2               90.52(13)     -1_645  .     -5_345  N
  O2        Ru1       O2               90.52(13)     -3_675  .     -5_345  N
  Ba1       Ru2       Ba1             107.670(9)      2_555  .      2_565  N
  Ba1       Ru2       Ba1             107.660(9)      2_555  .      2_665  N
  Ba1       Ru2       Ba2              69.812(4)      2_555  .      2_555  N
  Ba1       Ru2       Ba2              69.803(4)      2_555  .      2_655  N
  Ba1       Ru2       Ba2            175.163(17)      2_555  .      2_665  N
  Ba1       Ru2       Ba2             111.220(8)      2_555  .     -2_565  N
  Ba1       Ru2       Ru2              68.780(8)      2_555  .     -2_566  N
  Ba1       Ru2       O1               53.868(5)      2_555  .      2_455  N
  Ba1       Ru2       O1               53.869(5)      2_555  .      4_655  N
  Ba1       Ru2       O1               118.47(7)      2_555  .      6_675  N
  Ba1       Ru2       O2              126.022(6)      2_555  .      2_455  N
  Ba1       Ru2       O2              126.039(6)      2_555  .      4_655  N
  Ba1       Ru2       O2                54.50(9)      2_555  .      6_675  N
  Ba1       Ru2       Ba1             107.670(9)      2_565  .      2_665  N
  Ba1       Ru2       Ba2              69.817(4)      2_565  .      2_555  N
  Ba1       Ru2       Ba2            175.158(17)      2_565  .      2_655  N
  Ba1       Ru2       Ba2              69.814(4)      2_565  .      2_665  N
  Ba1       Ru2       Ba2             111.231(8)      2_565  .     -2_565  N
  Ba1       Ru2       Ru2              68.789(8)      2_565  .     -2_566  N
  Ba1       Ru2       O1               53.880(5)      2_565  .      2_455  N
  Ba1       Ru2       O1               118.48(7)      2_565  .      4_655  N
  Ba1       Ru2       O1               53.880(5)      2_565  .      6_675  N
  Ba1       Ru2       O2              126.044(6)      2_565  .      2_455  N
  Ba1       Ru2       O2                54.51(9)      2_565  .      4_655  N
  Ba1       Ru2       O2              126.044(6)      2_565  .      6_675  N
  Ba1       Ru2       Ba2            175.161(17)      2_665  .      2_555  N
  Ba1       Ru2       Ba2              69.812(4)      2_665  .      2_655  N
  Ba1       Ru2       Ba2              69.817(4)      2_665  .      2_665  N
  Ba1       Ru2       Ba2             111.212(8)      2_665  .     -2_565  N
  Ba1       Ru2       Ru2              68.769(8)      2_665  .     -2_566  N
  Ba1       Ru2       O1               118.47(7)      2_665  .      2_455  N
  Ba1       Ru2       O1               53.869(5)      2_665  .      4_655  N
  Ba1       Ru2       O1               53.868(5)      2_665  .      6_675  N
  Ba1       Ru2       O2                54.50(9)      2_665  .      2_455  N
  Ba1       Ru2       O2              126.039(6)      2_665  .      4_655  N
  Ba1       Ru2       O2              126.022(6)      2_665  .      6_675  N
  Ba2       Ru2       Ba2             112.368(9)      2_555  .      2_655  N
  Ba2       Ru2       Ba2             112.380(9)      2_555  .      2_665  N
  Ba2       Ru2       Ba2             73.628(10)      2_555  .     -2_565  N
  Ba2       Ru2       Ru2            106.392(10)      2_555  .     -2_566  N
  Ba2       Ru2       O1                56.69(7)      2_555  .      2_455  N
  Ba2       Ru2       O1             123.244(11)      2_555  .      4_655  N
  Ba2       Ru2       O1             123.259(11)      2_555  .      6_675  N
  Ba2       Ru2       O2               130.34(9)      2_555  .      2_455  N
  Ba2       Ru2       O2               56.240(5)      2_555  .      4_655  N
  Ba2       Ru2       O2               56.239(5)      2_555  .      6_675  N
  Ba2       Ru2       Ba2             112.380(9)      2_655  .      2_665  N
  Ba2       Ru2       Ba2             73.611(10)      2_655  .     -2_565  N
  Ba2       Ru2       Ru2            106.369(10)      2_655  .     -2_566  N
  Ba2       Ru2       O1             123.235(11)      2_655  .      2_455  N
  Ba2       Ru2       O1                56.68(7)      2_655  .      4_655  N
  Ba2       Ru2       O1             123.243(11)      2_655  .      6_675  N
  Ba2       Ru2       O2               56.231(5)      2_655  .      2_455  N
  Ba2       Ru2       O2               130.33(9)      2_655  .      4_655  N
  Ba2       Ru2       O2               56.223(5)      2_655  .      6_675  N
  Ba2       Ru2       Ba2             73.617(10)      2_665  .     -2_565  N
  Ba2       Ru2       Ru2            106.383(10)      2_665  .     -2_566  N
  Ba2       Ru2       O1             123.257(11)      2_665  .      2_455  N
  Ba2       Ru2       O1             123.250(11)      2_665  .      4_655  N
  Ba2       Ru2       O1                56.69(7)      2_665  .      6_675  N
  Ba2       Ru2       O2               56.242(5)      2_665  .      2_455  N
  Ba2       Ru2       O2               56.235(5)      2_665  .      4_655  N
  Ba2       Ru2       O2               130.33(9)      2_665  .      6_675  N
  Ba2       Ru2       Ru2                  180.0     -2_565  .     -2_566  N
  Ba2       Ru2       O1               130.31(7)     -2_565  .      2_455  N
  Ba2       Ru2       O1               130.29(7)     -2_565  .      4_655  N
  Ba2       Ru2       O1               130.31(7)     -2_565  .      6_675  N
  Ba2       Ru2       O2                56.71(9)     -2_565  .      2_455  N
  Ba2       Ru2       O2                56.72(9)     -2_565  .      4_655  N
  Ba2       Ru2       O2                56.72(9)     -2_565  .      6_675  N
  Ru2       Ru2       O1                49.71(7)     -2_566  .      2_455  N
  Ru2       Ru2       O1                49.69(7)     -2_566  .      4_655  N
  Ru2       Ru2       O1                49.69(7)     -2_566  .      6_675  N
  Ru2       Ru2       O2               123.27(9)     -2_566  .      2_455  N
  Ru2       Ru2       O2               123.30(9)     -2_566  .      4_655  N
  Ru2       Ru2       O2               123.28(9)     -2_566  .      6_675  N
  O1        Ru2       O1               82.67(10)      2_455  .      4_655  N
  O1        Ru2       O1               82.68(10)      2_455  .      6_675  N
  O1        Ru2       O2              172.98(11)      2_455  .      2_455  N
  O1        Ru2       O2                92.09(8)      2_455  .      4_655  N
  O1        Ru2       O2                92.08(8)      2_455  .      6_675  N
  O1        Ru2       O1               82.67(10)      4_655  .      6_675  N
  O1        Ru2       O2                92.06(8)      4_655  .      2_455  N
  O1        Ru2       O2              172.99(11)      4_655  .      4_655  N
  O1        Ru2       O2                92.06(8)      4_655  .      6_675  N
  O1        Ru2       O2                92.08(8)      6_675  .      2_455  N
  O1        Ru2       O2                92.09(8)      6_675  .      4_655  N
  O1        Ru2       O2              172.98(11)      6_675  .      6_675  N
  O2        Ru2       O2               92.77(12)      2_455  .      4_655  N
  O2        Ru2       O2               92.75(12)      2_455  .      6_675  N
  O2        Ru2       O2               92.77(12)      4_655  .      6_675  N
  Ba1       O1        Ba1             174.42(14)      1_545  .      1_655  N
  Ba1       O1        Ba2               88.26(5)      1_545  .      1_545  N
  Ba1       O1        Ba2               88.27(5)      1_545  .     -2_555  N
  Ba1       O1        Ru2               92.12(5)      1_545  .      2_644  N
  Ba1       O1        Ru2               92.13(5)      1_545  .     -1_656  N
  Ba1       O1        Ba2               88.26(5)      1_655  .      1_545  N
  Ba1       O1        Ba2               88.26(5)      1_655  .     -2_555  N
  Ba1       O1        Ru2               92.13(5)      1_655  .      2_644  N
  Ba1       O1        Ru2               92.13(5)      1_655  .     -1_656  N
  Ba2       O1        Ba2             103.05(11)      1_545  .     -2_555  N
  Ba2       O1        Ru2             88.174(18)      1_545  .      2_644  N
  Ba2       O1        Ru2             168.78(12)      1_545  .     -1_656  N
  Ba2       O1        Ru2             168.78(12)     -2_555  .      2_644  N
  Ba2       O1        Ru2             88.175(18)     -2_555  .     -1_656  N
  Ru2       O1        Ru2              80.60(14)      2_644  .     -1_656  N
  Ba1       O2        Ba2               88.14(6)      1_645  .      1_535  N
  Ba1       O2        Ba2               88.14(6)      1_645  .      1_645  N
  Ba1       O2        Ba2             178.95(14)      1_645  .     -1_655  N
  Ba1       O2        Ru1              90.79(14)      1_645  .      1_645  N
  Ba1       O2        Ru2               90.82(9)      1_645  .      2_644  N
  Ba2       O2        Ba2             174.41(11)      1_535  .      1_645  N
  Ba2       O2        Ba2               91.82(6)      1_535  .     -1_655  N
  Ba2       O2        Ru1               92.11(7)      1_535  .      1_645  N
  Ba2       O2        Ru2               87.93(7)      1_535  .      2_644  N
  Ba2       O2        Ba2               91.82(6)      1_645  .     -1_655  N
  Ba2       O2        Ru1               92.11(7)      1_645  .      1_645  N
  Ba2       O2        Ru2               87.95(7)      1_645  .      2_644  N
  Ba2       O2        Ru1               90.26(9)     -1_655  .      1_645  N
  Ba2       O2        Ru2              88.12(13)     -1_655  .      2_644  N
  Ru1       O2        Ru2             178.39(18)      1_645  .      2_644  N
#--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--#
