# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1_a
_database_code_depnum_ccdc_archive 'CCDC 2312911'
loop_
_audit_author_name
_audit_author_address
'Conggang Li'
;Tianjin University of Technology
China
;
_audit_update_record             
;
2023-12-08 deposited with the CCDC.	2024-01-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Ge0.67 Nb1.11 O4.56 Rb0.89'
_chemical_formula_weight         300.49

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Nb Nb -2.0727 0.6215 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rb Rb -0.9393 2.9676 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           60
_space_group_name_H-M_alt        'P b c n'
_space_group_name_Hall           '-P 2n 2ab'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'-x, y, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'x, -y, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   7.2567(16)
_cell_length_b                   12.446(3)
_cell_length_c                   22.200(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2005.1(7)
_cell_formula_units_Z            18
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    1975
_cell_measurement_theta_min      3.25
_cell_measurement_theta_max      25.38

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    4.479
_exptl_crystal_F_000             2452
_exptl_transmission_factor_min   0.4924
_exptl_transmission_factor_max   0.7456
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    16.928
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      295(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            10421
_diffrn_reflns_av_unetI/netI     0.0769
_diffrn_reflns_av_R_equivalents  0.0832
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         3.250
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             2290
_reflns_number_gt                1399
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0764P)²+22.6662P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         2290
_refine_ls_number_parameters     152
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.1215
_refine_ls_R_factor_gt           0.0620
_refine_ls_wR_factor_ref         0.1672
_refine_ls_wR_factor_gt          0.1351
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_restrained_S_all      1.008
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Nb1 Nb 0.53216(17) 0.66809(10) 0.36542(5) 0.0264(3) Uani 1 1 d . . . . .
Rb1 Rb 1.0125(2) 0.83377(13) 0.34847(7) 0.0399(4) Uani 1 1 d . . . . .
Ge1 Ge 0.000000 0.35715(16) 0.250000 0.0192(4) Uani 1 2 d S T P . .
O1 O 0.7345(14) 0.7090(8) 0.4129(4) 0.037(3) Uani 1 1 d . . . . .
Nb2 Nb 0.500000 0.500000 0.500000 0.0406(5) Uani 1 2 d S . P . .
Ge2 Ge 0.21242(18) 0.57585(12) 0.25586(6) 0.0218(3) Uani 1 1 d . . . . .
Rb2 Rb -0.0156(3) 0.49436(16) 0.40741(8) 0.0568(6) Uani 1 1 d . . . . .
O2 O 0.3680(13) 0.7545(8) 0.4138(4) 0.035(3) Uani 1 1 d . . . . .
Nb3 Nb 0.29156(18) 0.76559(12) 0.49886(6) 0.0344(4) Uani 1 1 d . . . . .
O3 O 0.4846(16) 0.5444(9) 0.4144(4) 0.049(3) Uani 1 1 d . . . . .
O4 O 0.3190(17) 0.6440(9) 0.3111(4) 0.054(3) Uani 1 1 d . . . . .
O5 O 0.650(2) 0.3830(10) 0.4765(5) 0.045(4) Uani 0.75 1 d . . P . .
O6 O 0.2708(17) 0.4148(9) 0.4889(4) 0.056(3) Uani 1 1 d . . . . .
O7 O 0.0585(16) 0.7008(10) 0.4818(5) 0.056(3) Uani 1 1 d . . . . .
O9 O 0.000000 0.6382(14) 0.250000 0.098(9) Uani 1 2 d S TU P . .
O8 O 0.3151(19) 0.5678(9) 0.1875(4) 0.062(4) Uani 1 1 d . . . . .
O10 O 0.1664(12) 0.4439(8) 0.2831(4) 0.028(2) Uani 1 1 d . . . . .
O11 O 0.1040(12) 0.2908(7) 0.1920(4) 0.027(2) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Nb1 O1 1.878(10) . ?
Nb1 O3 1.916(10) . ?
Nb1 O2 1.931(10) . ?
Nb1 O4 1.984(11) . ?
Nb1 O8 2.041(10) 3_655 ?
Nb1 O11 2.057(9) 6_666 ?
Nb1 Rb2 4.039(2) 1_655 ?
Nb1 Rb1 4.067(2) . ?
Nb1 Rb2 4.168(3) 8_665 ?
Nb1 Rb1 4.191(2) 8_755 ?
Nb1 Rb1 4.315(2) 1_455 ?
Rb1 O1 2.921(10) . ?
Rb1 O3 3.003(11) 8_765 ?
Rb1 O10 3.068(9) 8_765 ?
Rb1 O2 3.119(9) 1_655 ?
Rb1 O5 3.137(14) 8_765 ?
Rb1 O11 3.144(9) 6_666 ?
Rb1 O9 3.273(13) 1_655 ?
Rb1 O8 3.343(12) 6_666 ?
Rb1 O4 3.349(13) 1_655 ?
Rb1 O7 3.407(12) 1_655 ?
Rb1 O6 3.634(12) 8_765 ?
Rb1 Nb3 3.948(2) 4_566 ?
Ge1 O11 1.705(9) 3 ?
Ge1 O11 1.705(9) . ?
Ge1 O10 1.779(9) . ?
Ge1 O10 1.779(9) 3 ?
Ge1 Rb2 3.891(2) 3 ?
Ge1 Rb2 3.891(2) . ?
O1 Nb3 2.026(9) 4_566 ?
O1 Rb2 3.232(10) 1_655 ?
Nb2 O5 1.893(14) . ?
Nb2 O5 1.893(14) 5_666 ?
Nb2 O3 1.982(10) . ?
Nb2 O3 1.982(10) 5_666 ?
Nb2 O6 1.988(11) 5_666 ?
Nb2 O6 1.988(11) . ?
Nb2 Rb2 4.073(2) 1_655 ?
Nb2 Rb2 4.073(2) 5_566 ?
Nb2 Rb2 4.269(2) . ?
Nb2 Rb2 4.269(2) 5_666 ?
Ge2 O4 1.680(10) . ?
Ge2 O8 1.694(10) . ?
Ge2 O9 1.731(8) . ?
Ge2 O10 1.782(9) . ?
Ge2 Rb2 3.884(2) . ?
Ge2 Rb2 4.026(2) 3 ?
Rb2 O6 2.927(11) . ?
Rb2 O7 3.101(12) . ?
Rb2 O10 3.122(9) . ?
Rb2 O8 3.162(12) 3 ?
Rb2 O6 3.164(13) 5_566 ?
Rb2 O2 3.174(11) 8_655 ?
Rb2 O5 3.187(14) 1_455 ?
Rb2 O11 3.421(9) 3 ?
Rb2 O7 3.471(12) 5_566 ?
Rb2 Nb3 3.856(2) 8_655 ?
O2 Nb3 1.973(9) . ?
Nb3 O7 1.912(12) . ?
Nb3 O6 1.925(11) 8_665 ?
Nb3 O5 1.974(13) 5_666 ?
Nb3 O7 2.028(12) 4_566 ?

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_3
_geom_angle_publ_flag
O1 Nb1 O3 92.3(4) . . ?
O1 Nb1 O2 91.1(4) . . ?
O3 Nb1 O2 91.2(4) . . ?
O1 Nb1 O4 172.6(4) . . ?
O3 Nb1 O4 94.7(4) . . ?
O2 Nb1 O4 86.6(5) . . ?
O1 Nb1 O8 93.7(5) . 3_655 ?
O3 Nb1 O8 86.2(4) . 3_655 ?
O2 Nb1 O8 174.6(5) . 3_655 ?
O4 Nb1 O8 88.9(5) . 3_655 ?
O1 Nb1 O11 87.1(4) . 6_666 ?
O3 Nb1 O11 173.8(4) . 6_666 ?
O2 Nb1 O11 95.0(4) . 6_666 ?
O4 Nb1 O11 86.2(4) . 6_666 ?
O8 Nb1 O11 87.7(4) 3_655 6_666 ?
O1 Nb1 Rb2 51.7(3) . 1_655 ?
O3 Nb1 Rb2 65.5(3) . 1_655 ?
O2 Nb1 Rb2 132.2(3) . 1_655 ?
O4 Nb1 Rb2 133.8(4) . 1_655 ?
O8 Nb1 Rb2 50.5(3) 3_655 1_655 ?
O11 Nb1 Rb2 109.6(3) 6_666 1_655 ?
O1 Nb1 Rb1 40.9(3) . . ?
O3 Nb1 Rb1 127.9(3) . . ?
O2 Nb1 Rb1 107.3(3) . . ?
O4 Nb1 Rb1 133.5(3) . . ?
O8 Nb1 Rb1 78.0(4) 3_655 . ?
O11 Nb1 Rb1 49.4(3) 6_666 . ?
Rb2 Nb1 Rb1 66.20(5) 1_655 . ?
O1 Nb1 Rb2 68.5(3) . 8_665 ?
O3 Nb1 Rb2 130.6(3) . 8_665 ?
O2 Nb1 Rb2 46.8(3) . 8_665 ?
O4 Nb1 Rb2 105.1(3) . 8_665 ?
O8 Nb1 Rb2 137.7(4) 3_655 8_665 ?
O11 Nb1 Rb2 54.7(3) 6_666 8_665 ?
Rb2 Nb1 Rb2 119.57(4) 1_655 8_665 ?
Rb1 Nb1 Rb2 63.35(4) . 8_665 ?
O1 Nb1 Rb1 112.3(3) . 8_755 ?
O3 Nb1 Rb1 40.5(3) . 8_755 ?
O2 Nb1 Rb1 123.7(3) . 8_755 ?
O4 Nb1 Rb1 74.6(3) . 8_755 ?
O8 Nb1 Rb1 51.9(3) 3_655 8_755 ?
O11 Nb1 Rb1 134.5(3) 6_666 8_755 ?
Rb2 Nb1 Rb1 63.38(4) 1_655 8_755 ?
Rb1 Nb1 Rb1 124.15(4) . 8_755 ?
Rb2 Nb1 Rb1 170.14(5) 8_665 8_755 ?
O1 Nb1 Rb1 127.1(3) . 1_455 ?
O3 Nb1 Rb1 106.0(4) . 1_455 ?
O2 Nb1 Rb1 40.8(3) . 1_455 ?
O4 Nb1 Rb1 48.5(4) . 1_455 ?
O8 Nb1 Rb1 135.8(4) 3_655 1_455 ?
O11 Nb1 Rb1 79.2(3) 6_666 1_455 ?
Rb2 Nb1 Rb1 170.46(5) 1_655 1_455 ?
Rb1 Nb1 Rb1 119.91(5) . 1_455 ?
Rb2 Nb1 Rb1 61.87(4) 8_665 1_455 ?
Rb1 Nb1 Rb1 113.53(4) 8_755 1_455 ?
O1 Rb1 O3 103.3(3) . 8_765 ?
O1 Rb1 O10 173.7(3) . 8_765 ?
O3 Rb1 O10 80.5(3) 8_765 8_765 ?
O1 Rb1 O2 100.1(3) . 1_655 ?
O3 Rb1 O2 92.5(3) 8_765 1_655 ?
O10 Rb1 O2 74.5(2) 8_765 1_655 ?
O1 Rb1 O5 53.1(3) . 8_765 ?
O3 Rb1 O5 52.5(3) 8_765 8_765 ?
O10 Rb1 O5 128.8(3) 8_765 8_765 ?
O2 Rb1 O5 87.2(3) 1_655 8_765 ?
O1 Rb1 O11 53.0(2) . 6_666 ?
O3 Rb1 O11 107.1(3) 8_765 6_666 ?
O10 Rb1 O11 131.1(2) 8_765 6_666 ?
O2 Rb1 O11 149.2(3) 1_655 6_666 ?
O5 Rb1 O11 86.4(3) 8_765 6_666 ?
O1 Rb1 O9 85.0(2) . 1_655 ?
O3 Rb1 O9 167.2(3) 8_765 1_655 ?
O10 Rb1 O9 92.2(2) 8_765 1_655 ?
O2 Rb1 O9 95.6(2) 1_655 1_655 ?
O5 Rb1 O9 137.7(3) 8_765 1_655 ?
O11 Rb1 O9 69.90(17) 6_666 1_655 ?
O1 Rb1 O8 106.5(3) . 6_666 ?
O3 Rb1 O8 50.1(3) 8_765 6_666 ?
O10 Rb1 O8 79.8(3) 8_765 6_666 ?
O2 Rb1 O8 137.8(3) 1_655 6_666 ?
O5 Rb1 O8 83.4(3) 8_765 6_666 ?
O11 Rb1 O8 71.1(3) 6_666 6_666 ?
O9 Rb1 O8 118.5(2) 1_655 6_666 ?
O1 Rb1 O4 101.8(3) . 1_655 ?
O3 Rb1 O4 137.0(3) 8_765 1_655 ?
O10 Rb1 O4 72.2(2) 8_765 1_655 ?
O2 Rb1 O4 48.9(3) 1_655 1_655 ?
O5 Rb1 O4 127.7(3) 8_765 1_655 ?
O11 Rb1 O4 115.8(3) 6_666 1_655 ?
O9 Rb1 O4 47.8(2) 1_655 1_655 ?
O8 Rb1 O4 147.2(3) 6_666 1_655 ?
O1 Rb1 O7 52.0(3) . 1_655 ?
O3 Rb1 O7 90.0(3) 8_765 1_655 ?
O10 Rb1 O7 123.6(3) 8_765 1_655 ?
O2 Rb1 O7 50.3(3) 1_655 1_655 ?
O5 Rb1 O7 49.1(3) 8_765 1_655 ?
O11 Rb1 O7 105.0(3) 6_666 1_655 ?
O9 Rb1 O7 102.8(3) 1_655 1_655 ?
O8 Rb1 O7 132.3(3) 6_666 1_655 ?
O4 Rb1 O7 78.9(3) 1_655 1_655 ?
O1 Rb1 O6 91.5(3) . 8_765 ?
O3 Rb1 O6 48.4(3) 8_765 8_765 ?
O10 Rb1 O6 87.3(3) 8_765 8_765 ?
O2 Rb1 O6 48.0(2) 1_655 8_765 ?
O5 Rb1 O6 48.1(3) 8_765 8_765 ?
O11 Rb1 O6 134.5(2) 6_666 8_765 ?
O9 Rb1 O6 142.3(2) 1_655 8_765 ?
O8 Rb1 O6 98.5(2) 6_666 8_765 ?
O4 Rb1 O6 96.9(2) 1_655 8_765 ?
O7 Rb1 O6 49.3(3) 1_655 8_765 ?
O1 Rb1 Nb3 29.80(18) . 4_566 ?
O3 Rb1 Nb3 81.8(2) 8_765 4_566 ?
O10 Rb1 Nb3 148.67(17) 8_765 4_566 ?
O2 Rb1 Nb3 80.66(17) 1_655 4_566 ?
O5 Rb1 Nb3 29.6(2) 8_765 4_566 ?
O11 Rb1 Nb3 79.01(16) 6_666 4_566 ?
O9 Rb1 Nb3 109.22(18) 1_655 4_566 ?
O8 Rb1 Nb3 107.7(2) 6_666 4_566 ?
O4 Rb1 Nb3 105.14(17) 1_655 4_566 ?
O7 Rb1 Nb3 30.91(19) 1_655 4_566 ?
O6 Rb1 Nb3 61.73(19) 8_765 4_566 ?
O11 Ge1 O11 122.1(6) 3 . ?
O11 Ge1 O10 106.4(4) 3 . ?
O11 Ge1 O10 107.8(4) . . ?
O11 Ge1 O10 107.8(4) 3 3 ?
O11 Ge1 O10 106.4(4) . 3 ?
O10 Ge1 O10 105.2(6) . 3 ?
O11 Ge1 Rb2 154.6(3) 3 3 ?
O11 Ge1 Rb2 61.4(3) . 3 ?
O10 Ge1 Rb2 94.9(3) . 3 ?
O10 Ge1 Rb2 51.8(3) 3 3 ?
O11 Ge1 Rb2 61.4(3) 3 . ?
O11 Ge1 Rb2 154.6(3) . . ?
O10 Ge1 Rb2 51.8(3) . . ?
O10 Ge1 Rb2 94.9(3) 3 . ?
Rb2 Ge1 Rb2 127.93(8) 3 . ?
O11 Ge1 Rb1 89.2(3) 3 6_456 ?
O11 Ge1 Rb1 86.9(3) . 6_456 ?
O10 Ge1 Rb1 146.6(3) . 6_456 ?
O10 Ge1 Rb1 41.4(3) 3 6_456 ?
Rb2 Ge1 Rb1 65.44(4) 3 6_456 ?
Rb2 Ge1 Rb1 118.49(4) . 6_456 ?
O11 Ge1 Rb1 86.9(3) 3 8_755 ?
O11 Ge1 Rb1 89.2(3) . 8_755 ?
O10 Ge1 Rb1 41.4(3) . 8_755 ?
O10 Ge1 Rb1 146.6(3) 3 8_755 ?
Rb2 Ge1 Rb1 118.49(4) 3 8_755 ?
Rb2 Ge1 Rb1 65.44(4) . 8_755 ?
Rb1 Ge1 Rb1 172.00(7) 6_456 8_755 ?
Nb1 O1 Nb3 138.1(5) . 4_566 ?
Nb1 O1 Rb1 114.1(4) . . ?
Nb3 O1 Rb1 104.4(4) 4_566 . ?
Nb1 O1 Rb2 101.1(4) . 1_655 ?
Nb3 O1 Rb2 92.9(3) 4_566 1_655 ?
Rb1 O1 Rb2 91.9(3) . 1_655 ?
O5 Nb2 O5 180.0 . 5_666 ?
O5 Nb2 O3 89.0(5) . . ?
O5 Nb2 O3 91.0(5) 5_666 . ?
O5 Nb2 O3 91.0(5) . 5_666 ?
O5 Nb2 O3 89.0(5) 5_666 5_666 ?
O3 Nb2 O3 180.0(7) . 5_666 ?
O5 Nb2 O6 87.9(6) . 5_666 ?
O5 Nb2 O6 92.1(6) 5_666 5_666 ?
O3 Nb2 O6 91.0(4) . 5_666 ?
O3 Nb2 O6 89.0(4) 5_666 5_666 ?
O5 Nb2 O6 92.1(6) . . ?
O5 Nb2 O6 87.9(6) 5_666 . ?
O3 Nb2 O6 89.0(4) . . ?
O3 Nb2 O6 91.0(4) 5_666 . ?
O6 Nb2 O6 180.0 5_666 . ?
O5 Nb2 Rb1 128.7(4) . 4_466 ?
O5 Nb2 Rb1 51.3(4) 5_666 4_466 ?
O3 Nb2 Rb1 132.2(3) . 4_466 ?
O3 Nb2 Rb1 47.8(3) 5_666 4_466 ?
O6 Nb2 Rb1 66.1(3) 5_666 4_466 ?
O6 Nb2 Rb1 113.9(3) . 4_466 ?
O5 Nb2 Rb1 51.3(4) . 8_755 ?
O5 Nb2 Rb1 128.7(4) 5_666 8_755 ?
O3 Nb2 Rb1 47.8(3) . 8_755 ?
O3 Nb2 Rb1 132.2(3) 5_666 8_755 ?
O6 Nb2 Rb1 113.9(3) 5_666 8_755 ?
O6 Nb2 Rb1 66.1(3) . 8_755 ?
Rb1 Nb2 Rb1 180.0 4_466 8_755 ?
O5 Nb2 Rb2 49.5(4) . 1_655 ?
O5 Nb2 Rb2 130.5(4) 5_666 1_655 ?
O3 Nb2 Rb2 64.5(3) . 1_655 ?
O3 Nb2 Rb2 115.5(3) 5_666 1_655 ?
O6 Nb2 Rb2 49.4(3) 5_666 1_655 ?
O6 Nb2 Rb2 130.6(3) . 1_655 ?
Rb1 Nb2 Rb2 114.77(4) 4_466 1_655 ?
Rb1 Nb2 Rb2 65.23(4) 8_755 1_655 ?
O5 Nb2 Rb2 130.5(4) . 5_566 ?
O5 Nb2 Rb2 49.5(4) 5_666 5_566 ?
O3 Nb2 Rb2 115.5(3) . 5_566 ?
O3 Nb2 Rb2 64.5(3) 5_666 5_566 ?
O6 Nb2 Rb2 130.6(3) 5_666 5_566 ?
O6 Nb2 Rb2 49.4(3) . 5_566 ?
Rb1 Nb2 Rb2 65.23(4) 4_466 5_566 ?
Rb1 Nb2 Rb2 114.77(4) 8_755 5_566 ?
Rb2 Nb2 Rb2 180.0 1_655 5_566 ?
O5 Nb2 Rb2 111.0(5) . . ?
O5 Nb2 Rb2 69.0(5) 5_666 . ?
O3 Nb2 Rb2 59.6(3) . . ?
O3 Nb2 Rb2 120.4(3) 5_666 . ?
O6 Nb2 Rb2 143.3(3) 5_666 . ?
O6 Nb2 Rb2 36.7(3) . . ?
Rb1 Nb2 Rb2 116.02(3) 4_466 . ?
Rb1 Nb2 Rb2 63.98(3) 8_755 . ?
Rb2 Nb2 Rb2 120.87(4) 1_655 . ?
Rb2 Nb2 Rb2 59.13(4) 5_566 . ?
O5 Nb2 Rb2 69.0(5) . 5_666 ?
O5 Nb2 Rb2 111.0(5) 5_666 5_666 ?
O3 Nb2 Rb2 120.4(3) . 5_666 ?
O3 Nb2 Rb2 59.6(3) 5_666 5_666 ?
O6 Nb2 Rb2 36.7(3) 5_666 5_666 ?
O6 Nb2 Rb2 143.3(3) . 5_666 ?
Rb1 Nb2 Rb2 63.98(3) 4_466 5_666 ?
Rb1 Nb2 Rb2 116.02(3) 8_755 5_666 ?
Rb2 Nb2 Rb2 59.13(4) 1_655 5_666 ?
Rb2 Nb2 Rb2 120.87(4) 5_566 5_666 ?
Rb2 Nb2 Rb2 180.0 . 5_666 ?
O4 Ge2 O8 118.8(6) . . ?
O4 Ge2 O9 103.8(6) . . ?
O8 Ge2 O9 110.5(5) . . ?
O4 Ge2 O10 107.6(4) . . ?
O8 Ge2 O10 109.4(5) . . ?
O9 Ge2 O10 105.8(6) . . ?
O4 Ge2 Rb2 72.2(4) . . ?
O8 Ge2 Rb2 161.5(4) . . ?
O9 Ge2 Rb2 78.6(2) . . ?
O10 Ge2 Rb2 52.0(3) . . ?
O4 Ge2 Rb2 161.5(3) . 3 ?
O8 Ge2 Rb2 48.3(4) . 3 ?
O9 Ge2 Rb2 74.3(2) . 3 ?
O10 Ge2 Rb2 90.4(3) . 3 ?
Rb2 Ge2 Rb2 124.26(5) . 3 ?
O4 Ge2 Rb1 53.0(4) . 1_455 ?
O8 Ge2 Rb1 130.9(4) . 1_455 ?
O9 Ge2 Rb1 50.8(4) . 1_455 ?
O10 Ge2 Rb1 119.2(3) . 1_455 ?
Rb2 Ge2 Rb1 67.51(4) . 1_455 ?
Rb2 Ge2 Rb1 121.73(5) 3 1_455 ?
O4 Ge2 Rb1 77.5(4) . 8_755 ?
O8 Ge2 Rb1 100.9(4) . 8_755 ?
O9 Ge2 Rb1 142.2(3) . 8_755 ?
O10 Ge2 Rb1 41.8(3) . 8_755 ?
Rb2 Ge2 Rb1 65.60(4) . 8_755 ?
Rb2 Ge2 Rb1 115.66(5) 3 8_755 ?
Rb1 Ge2 Rb1 119.46(5) 1_455 8_755 ?
O6 Rb2 O7 80.1(3) . . ?
O6 Rb2 O10 100.2(3) . . ?
O7 Rb2 O10 124.3(3) . . ?
O6 Rb2 O8 175.8(3) . 3 ?
O7 Rb2 O8 103.5(3) . 3 ?
O10 Rb2 O8 76.1(2) . 3 ?
O6 Rb2 O6 95.0(3) . 5_566 ?
O7 Rb2 O6 54.4(3) . 5_566 ?
O10 Rb2 O6 164.2(3) . 5_566 ?
O8 Rb2 O6 88.8(3) 3 5_566 ?
O6 Rb2 O2 54.2(3) . 8_655 ?
O7 Rb2 O2 134.2(3) . 8_655 ?
O10 Rb2 O2 73.0(2) . 8_655 ?
O8 Rb2 O2 122.3(3) 3 8_655 ?
O6 Rb2 O2 120.1(3) 5_566 8_655 ?
O6 Rb2 O5 95.5(3) . 1_455 ?
O7 Rb2 O5 103.7(3) . 1_455 ?
O10 Rb2 O5 131.3(3) . 1_455 ?
O8 Rb2 O5 85.6(3) 3 1_455 ?
O6 Rb2 O5 50.2(3) 5_566 1_455 ?
O2 Rb2 O5 80.0(3) 8_655 1_455 ?
O6 Rb2 O1 130.9(3) . 1_455 ?
O7 Rb2 O1 52.6(3) . 1_455 ?
O10 Rb2 O1 115.9(2) . 1_455 ?
O8 Rb2 O1 53.2(2) 3 1_455 ?
O6 Rb2 O1 49.3(3) 5_566 1_455 ?
O2 Rb2 O1 164.8(3) 8_655 1_455 ?
O5 Rb2 O1 85.1(3) 1_455 1_455 ?
O6 Rb2 O11 106.3(3) . 3 ?
O7 Rb2 O11 171.7(3) . 3 ?
O10 Rb2 O11 50.2(2) . 3 ?
O8 Rb2 O11 69.8(2) 3 3 ?
O6 Rb2 O11 128.6(3) 5_566 3 ?
O2 Rb2 O11 52.8(2) 8_655 3 ?
O5 Rb2 O11 81.1(3) 1_455 3 ?
O1 Rb2 O11 122.1(2) 1_455 3 ?
O6 Rb2 O7 52.4(3) . 5_566 ?
O7 Rb2 O7 102.6(3) . 5_566 ?
O10 Rb2 O7 121.6(3) . 5_566 ?
O8 Rb2 O7 127.8(3) 3 5_566 ?
O6 Rb2 O7 71.4(3) 5_566 5_566 ?
O2 Rb2 O7 48.8(3) 8_655 5_566 ?
O5 Rb2 O7 44.5(3) 1_455 5_566 ?
O1 Rb2 O7 120.1(3) 1_455 5_566 ?
O11 Rb2 O7 85.6(2) 3 5_566 ?
O6 Rb2 Nb3 29.1(2) . 8_655 ?
O7 Rb2 Nb3 105.0(2) . 8_655 ?
O10 Rb2 Nb3 97.97(17) . 8_655 ?
O8 Rb2 Nb3 148.7(2) 3 8_655 ?
O6 Rb2 Nb3 97.3(2) 5_566 8_655 ?
O2 Rb2 Nb3 30.69(16) 8_655 8_655 ?
O5 Rb2 Nb3 75.3(3) 1_455 8_655 ?
O1 Rb2 Nb3 145.80(16) 1_455 8_655 ?
O11 Rb2 Nb3 82.65(15) 3 8_655 ?
O7 Rb2 Nb3 31.58(19) 5_566 8_655 ?
O6 Rb2 Ge2 108.7(2) . . ?
O7 Rb2 Ge2 99.8(2) . . ?
O10 Rb2 Ge2 26.74(17) . . ?
O8 Rb2 Ge2 68.9(2) 3 . ?
O6 Rb2 Ge2 141.9(2) 5_566 . ?
O2 Rb2 Ge2 98.08(16) 8_655 . ?
O5 Rb2 Ge2 148.7(3) 1_455 . ?
O1 Rb2 Ge2 93.21(16) 1_455 . ?
O11 Rb2 Ge2 73.40(15) 3 . ?
O7 Rb2 Ge2 146.6(2) 5_566 . ?
Nb3 Rb2 Ge2 117.99(5) 8_655 . ?
Nb1 O2 Nb3 138.1(5) . . ?
Nb1 O2 Rb1 115.3(4) . 1_455 ?
Nb3 O2 Rb1 101.0(3) . 1_455 ?
Nb1 O2 Rb2 106.9(4) . 8_665 ?
Nb3 O2 Rb2 94.1(4) . 8_665 ?
Rb1 O2 Rb2 87.8(3) 1_455 8_665 ?
O7 Nb3 O6 100.2(6) . 8_665 ?
O7 Nb3 O2 91.7(4) . . ?
O6 Nb3 O2 91.3(4) 8_665 . ?
O7 Nb3 O5 81.3(6) . 5_666 ?
O6 Nb3 O5 170.5(4) 8_665 5_666 ?
O2 Nb3 O5 98.1(5) . 5_666 ?
O7 Nb3 O1 94.4(4) . 4_466 ?
O6 Nb3 O1 85.0(4) 8_665 4_466 ?
O2 Nb3 O1 173.4(4) . 4_466 ?
O5 Nb3 O1 85.5(5) 5_666 4_466 ?
O7 Nb3 O7 167.0(2) . 4_566 ?
O6 Nb3 O7 92.9(5) 8_665 4_566 ?
O2 Nb3 O7 87.1(4) . 4_566 ?
O5 Nb3 O7 86.0(6) 5_666 4_566 ?
O1 Nb3 O7 87.6(4) 4_466 4_566 ?
O7 Nb3 Rb2 125.4(4) . 8_665 ?
O6 Nb3 Rb2 47.6(3) 8_665 8_665 ?
O2 Nb3 Rb2 55.2(3) . 8_665 ?
O5 Nb3 Rb2 138.4(4) 5_666 8_665 ?
O1 Nb3 Rb2 118.7(3) 4_466 8_665 ?
O7 Nb3 Rb2 63.7(4) 4_566 8_665 ?
O7 Nb3 Rb2 138.3(4) . 4_566 ?
O6 Nb3 Rb2 53.6(4) 8_665 4_566 ?
O2 Nb3 Rb2 117.6(3) . 4_566 ?
O5 Nb3 Rb2 119.5(4) 5_666 4_566 ?
O1 Nb3 Rb2 55.8(3) 4_466 4_566 ?
O7 Nb3 Rb2 52.1(4) 4_566 4_566 ?
Rb2 Nb3 Rb2 64.15(5) 8_665 4_566 ?
O7 Nb3 Rb1 113.4(4) . 4_466 ?
O6 Nb3 Rb1 119.8(3) 8_665 4_466 ?
O2 Nb3 Rb1 133.3(3) . 4_466 ?
O5 Nb3 Rb1 51.8(4) 5_666 4_466 ?
O1 Nb3 Rb1 45.8(3) 4_466 4_466 ?
O7 Nb3 Rb1 59.7(3) 4_566 4_466 ?
Rb2 Nb3 Rb1 120.80(5) 8_665 4_466 ?
Rb2 Nb3 Rb1 68.67(5) 4_566 4_466 ?
O7 Nb3 Rb1 58.4(4) . 1_455 ?
O6 Nb3 Rb1 65.1(4) 8_665 1_455 ?
O2 Nb3 Rb1 50.0(3) . 1_455 ?
O5 Nb3 Rb1 122.6(4) 5_666 1_455 ?
O1 Nb3 Rb1 132.1(3) 4_466 1_455 ?
O7 Nb3 Rb1 128.1(3) 4_566 1_455 ?
Rb2 Nb3 Rb1 67.48(4) 8_665 1_455 ?
Rb2 Nb3 Rb1 117.70(5) 4_566 1_455 ?
Rb1 Nb3 Rb1 171.72(5) 4_466 1_455 ?
O7 Nb3 Rb2 51.1(4) . 5_566 ?
O6 Nb3 Rb2 131.8(3) 8_665 5_566 ?
O2 Nb3 Rb2 122.5(3) . 5_566 ?
O5 Nb3 Rb2 42.9(4) 5_666 5_566 ?
O1 Nb3 Rb2 63.8(3) 4_466 5_566 ?
O7 Nb3 Rb2 119.6(4) 4_566 5_566 ?
Rb2 Nb3 Rb2 176.44(5) 8_665 5_566 ?
Rb2 Nb3 Rb2 118.76(5) 4_566 5_566 ?
Rb1 Nb3 Rb2 62.74(4) 4_466 5_566 ?
Rb1 Nb3 Rb2 108.98(5) 1_455 5_566 ?
Nb1 O3 Nb2 139.3(6) . . ?
Nb1 O3 Rb1 115.1(4) . 8_755 ?
Nb2 O3 Rb1 102.9(4) . 8_755 ?
Ge2 O4 Nb1 151.5(8) . . ?
Ge2 O4 Rb1 103.4(5) . 1_455 ?
Nb1 O4 Rb1 105.1(4) . 1_455 ?
Nb2 O5 Nb3 140.1(7) . 5_666 ?
Nb2 O5 Rb1 100.6(6) . 8_755 ?
Nb3 O5 Rb1 98.6(5) 5_666 8_755 ?
Nb2 O5 Rb2 103.7(5) . 1_655 ?
Nb3 O5 Rb2 112.2(6) 5_666 1_655 ?
Rb1 O5 Rb2 86.3(3) 8_755 1_655 ?
Nb3 O6 Nb2 134.2(7) 8_655 . ?
Nb3 O6 Rb2 103.3(4) 8_655 . ?
Nb2 O6 Rb2 119.4(4) . . ?
Nb3 O6 Rb2 97.1(4) 8_655 5_566 ?
Nb2 O6 Rb2 102.0(4) . 5_566 ?
Rb2 O6 Rb2 85.0(3) . 5_566 ?
Nb3 O6 Rb1 86.1(4) 8_655 8_755 ?
Nb2 O6 Rb1 83.8(4) . 8_755 ?
Rb2 O6 Rb1 82.6(2) . 8_755 ?
Rb2 O6 Rb1 167.6(4) 5_566 8_755 ?
Nb3 O7 Nb3 135.7(7) . 4_466 ?
Nb3 O7 Rb2 127.5(5) . . ?
Nb3 O7 Rb2 96.8(4) 4_466 . ?
Nb3 O7 Rb1 93.1(4) . 1_455 ?
Nb3 O7 Rb1 89.4(4) 4_466 1_455 ?
Rb2 O7 Rb1 85.6(3) . 1_455 ?
Nb3 O7 Rb2 103.5(5) . 5_566 ?
Nb3 O7 Rb2 84.7(4) 4_466 5_566 ?
Rb2 O7 Rb2 77.4(3) . 5_566 ?
Rb1 O7 Rb2 161.2(4) 1_455 5_566 ?
Ge2 O9 Ge2 126.7(10) . 3 ?
Ge2 O9 Rb1 105.0(3) . 1_455 ?
Ge2 O9 Rb1 114.1(3) 3 1_455 ?
Ge2 O9 Rb1 114.1(3) . 3_655 ?
Ge2 O9 Rb1 105.0(3) 3 3_655 ?
Rb1 O9 Rb1 83.9(4) 1_455 3_655 ?
Ge2 O8 Nb1 135.9(6) . 3_655 ?
Ge2 O8 Rb2 108.2(6) . 3 ?
Nb1 O8 Rb2 99.6(4) 3_655 3 ?
Ge2 O8 Rb1 117.0(5) . 6_556 ?
Nb1 O8 Rb1 99.4(4) 3_655 6_556 ?
Rb2 O8 Rb1 83.3(2) 3 6_556 ?
Ge1 O10 Ge2 123.1(5) . . ?
Ge1 O10 Rb1 116.1(4) . 8_755 ?
Ge2 O10 Rb1 115.5(4) . 8_755 ?
Ge1 O10 Rb2 101.6(3) . . ?
Ge2 O10 Rb2 101.2(4) . . ?
Rb1 O10 Rb2 89.6(2) 8_755 . ?
Ge1 O11 Nb1 135.7(5) . 6_556 ?
Ge1 O11 Rb1 123.4(4) . 6_556 ?
Nb1 O11 Rb1 100.8(3) 6_556 6_556 ?
Ge1 O11 Rb2 92.6(4) . 3 ?
Nb1 O11 Rb2 95.9(3) 6_556 3 ?
Rb1 O11 Rb2 82.3(2) 6_556 3 ?

_refine_diff_density_max         1.494
_refine_diff_density_min         -1.556
_refine_diff_density_rms         0.310



