#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:41:46 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179931 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/26/7022689.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7022689
loop_
_publ_author_name
'Shen, Jian-Qiang'
'Yao, Shuang'
'Zhang, Zhi-Ming'
'Wu, Hai-Hong'
'Zhang, Tian-Zhan'
'Wang, En-Bo'
_publ_section_title
;
 Self-assembly and photocatalytic property of germanoniobate
 [H6Ge4Nb16O56]10-: encapsulating four {GeO4} tetrahedra within a {Nb16}
 cage.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5812
_journal_page_last               5817
_journal_paper_doi               10.1039/c3dt32855d
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C20 H194 Cu5 Ge8 N20 Na10 Nb32 O163'
_chemical_formula_weight         7425.39
_chemical_name_systematic
;
?
;
_space_group_IT_number           71
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.104(3)
_cell_length_b                   25.920(5)
_cell_length_c                   30.280(6)
_cell_measurement_reflns_used    7268
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.01
_cell_volume                     11854(4)
_computing_cell_refinement       auto
_computing_data_collection       auto
_computing_data_reduction        auto
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 0.01
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID IP'
_diffrn_measurement_method       Oscillation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0855
_diffrn_reflns_av_unetI/netI     0.0546
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            51755
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.01
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.028
_exptl_absorpt_correction_T_max  0.7722
_exptl_absorpt_correction_T_min  0.4952
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR by T.Higashi 8 March, 1995'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    2.080
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             7162
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.09
_refine_diff_density_max         3.341
_refine_diff_density_min         -1.481
_refine_diff_density_rms         0.238
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     310
_refine_ls_number_reflns         7268
_refine_ls_number_restraints     37
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0976
_refine_ls_R_factor_gt           0.0665
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1030P)²+227.7623P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1913
_refine_ls_wR_factor_ref         0.2095
_reflns_number_gt                5009
_reflns_number_total             7268
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt32855d.txt
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        11855(4)
_cod_original_sg_symbol_H-M      Immm
_cod_database_code               7022689
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, z+1/2'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Nb1 Nb 0.0000 0.21563(5) 0.16716(4) 0.0322(3) Uani 1 2 d S
Nb2 Nb 0.12526(8) 0.32430(4) 0.0000 0.0262(3) Uani 1 2 d S
Nb3 Nb 0.12185(6) 0.32300(3) 0.11011(2) 0.0309(2) Uani 1 1 d .
Nb4 Nb 0.24433(6) 0.23205(3) 0.05618(2) 0.0276(2) Uani 1 1 d .
Nb5 Nb 0.11364(6) 0.12393(3) 0.11052(3) 0.0327(2) Uani 1 1 d .
Ge1 Ge 0.0000 0.22610(5) 0.04968(4) 0.0217(3) Uani 1 2 d S
Ge2 Ge 0.17622(10) 0.12133(5) 0.0000 0.0309(3) Uani 1 2 d S
Cu1 Cu 0.2500 0.2500 0.2500 0.0454(5) Uani 1 2 d S
Cu2 Cu 0.0000 0.5000 0.0000 0.0579(12) Uani 1 8 d S
Na1 Na 0.0000 0.0669(4) 0.0000 0.051(2) Uani 1 4 d S
Na2 Na 0.2024(6) 0.0000 0.0535(3) 0.066(2) Uani 1 2 d S
Na3 Na 0.0000 0.0000 0.1676(8) 0.058(6) Uani 0.40 4 d SPU
Na4 Na 0.0000 0.4017(8) 0.1972(5) 0.050(5) Uani 0.32 2 d SP
Na5 Na 0.3905(14) 0.3200(8) 0.1350(7) 0.055(5) Uani 0.24 1 d PU
O1 O 0.1853(5) 0.0756(3) 0.1302(3) 0.051(2) Uani 1 1 d .
O2 O 0.0955(4) 0.2643(2) 0.04975(18) 0.0249(13) Uani 1 1 d .
O3 O 0.2368(6) 0.2807(3) 0.0000 0.0287(19) Uani 1 2 d S
O4 O 0.0884(5) 0.2677(3) 0.14661(19) 0.0343(15) Uani 1 1 d .
O5 O 0.0000 0.3343(4) 0.0000 0.027(3) Uani 1 4 d S
O6 O 0.1980(4) 0.1790(3) 0.0907(2) 0.0325(14) Uani 1 1 d .
O7 O 0.0000 0.1840(3) 0.0942(3) 0.0254(18) Uani 1 2 d S
O8 O 0.1593(6) 0.3698(3) 0.1483(2) 0.0473(19) Uani 1 1 d .
O9 O 0.0000 0.3432(4) 0.1014(3) 0.034(2) Uani 1 2 d S
O10 O 0.2079(6) 0.1864(3) 0.0000 0.0277(19) Uani 1 2 d S
O11 O 0.1142(5) 0.1033(3) 0.0452(2) 0.0353(15) Uani 1 1 d .
O12 O 0.3598(5) 0.2193(3) 0.0564(2) 0.0420(17) Uani 1 1 d .
O13 O 0.0000 0.1910(4) 0.0000 0.023(2) Uani 1 4 d S
O14 O 0.2397(5) 0.2881(3) 0.0960(2) 0.0353(15) Uani 1 1 d .
O15 O 0.0000 0.0862(4) 0.1154(3) 0.038(2) Uani 1 2 d S
O16 O 0.0000 0.2288(4) 0.2251(3) 0.041(2) Uani 1 2 d S
O17 O 0.2730(7) 0.0828(4) 0.0000 0.048(3) Uani 1 2 d S
O18 O 0.1510(5) 0.3630(3) 0.04913(19) 0.0339(15) Uani 1 1 d .
O19 O 0.0926(5) 0.1619(3) 0.1651(2) 0.0363(16) Uani 1 1 d .
O1W O 0.0000 0.0000 0.0563(9) 0.108(9) Uani 1 4 d SU
O2W O 0.3687(9) 0.3179(5) 0.2251(4) 0.088(4) Uani 0.90 1 d PU
O3W O 0.5000 0.2214(10) 0.1144(9) 0.111(8) Uiso 0.76 2 d SP
O4W O 0.1859(17) 0.0000 0.1912(7) 0.127(8) Uiso 0.94 2 d SP
O5W O 0.5000 0.2581(15) 0.0000 0.106(12) Uiso 0.72 4 d SP
O6W O 0.342(2) 0.0600(13) 0.0934(11) 0.120(11) Uiso 0.44 1 d P
O7W O 0.1115(15) 0.0827(9) 0.2303(7) 0.121(7) Uiso 0.68 1 d P
O8W O 0.5000 0.094(2) 0.1386(18) 0.125(18) Uiso 0.40 2 d SP
C1 C 0.0000 0.4738(12) 0.0867(8) 0.152(14) Uani 1 2 d SDU
C2 C 0.1463(13) 0.3357(7) 0.2755(5) 0.089(5) Uani 1 1 d U
H2A H 0.1806 0.3669 0.2710 0.106 Uiso 1 1 calc R
H2B H 0.0846 0.3457 0.2781 0.106 Uiso 1 1 calc R
C3 C 0.1730(11) 0.3127(7) 0.3153(4) 0.082(5) Uani 1 1 d .
H3A H 0.1226 0.2947 0.3279 0.098 Uiso 1 1 calc R
H3B H 0.1898 0.3397 0.3358 0.098 Uiso 1 1 calc R
N1 N 0.2441(7) 0.2775(4) 0.3118(3) 0.048(2) Uani 1 1 d .
H1C H 0.2363 0.2513 0.3309 0.058 Uiso 1 1 calc R
H1D H 0.2952 0.2935 0.3186 0.058 Uiso 1 1 calc R
N2 N 0.0000 0.4481(6) 0.0491(5) 0.071(5) Uani 1 2 d SD
N3 N 0.1564(7) 0.3028(4) 0.2373(3) 0.050(2) Uani 1 1 d .
H3C H 0.1721 0.3218 0.2137 0.060 Uiso 1 1 calc R
H3D H 0.1048 0.2870 0.2312 0.060 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 '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'
Nb Nb -2.0727 0.6215 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O16 Nb1 O19 99.5(3) . 12
O16 Nb1 O19 99.5(3) . .
O19 Nb1 O19 90.2(4) 12 .
O16 Nb1 O4 100.2(3) . .
O19 Nb1 O4 160.1(3) 12 .
O19 Nb1 O4 89.6(3) . .
O16 Nb1 O4 100.2(3) . 12
O19 Nb1 O4 89.6(3) 12 12
O19 Nb1 O4 160.1(3) . 12
O4 Nb1 O4 83.9(4) . 12
O16 Nb1 O7 170.6(4) . .
O19 Nb1 O7 74.1(2) 12 .
O19 Nb1 O7 74.1(2) . .
O4 Nb1 O7 86.7(2) . .
O4 Nb1 O7 86.7(2) 12 .
O18 Nb2 O18 108.2(4) . 10
O18 Nb2 O5 97.8(3) . .
O18 Nb2 O5 97.8(3) 10 .
O18 Nb2 O3 97.4(3) . .
O18 Nb2 O3 97.4(3) 10 .
O5 Nb2 O3 153.9(4) . .
O18 Nb2 O2 168.4(3) . 10
O18 Nb2 O2 82.9(3) 10 10
O5 Nb2 O2 83.9(3) . 10
O3 Nb2 O2 77.1(2) . 10
O18 Nb2 O2 82.9(3) . .
O18 Nb2 O2 168.4(3) 10 .
O5 Nb2 O2 83.9(3) . .
O3 Nb2 O2 77.1(2) . .
O2 Nb2 O2 85.9(3) 10 .
O18 Nb2 Nb3 145.0(2) . 10
O18 Nb2 Nb3 36.8(2) 10 10
O5 Nb2 Nb3 89.20(3) . 10
O3 Nb2 Nb3 90.41(3) . 10
O2 Nb2 Nb3 46.25(15) 10 10
O2 Nb2 Nb3 132.15(15) . 10
O18 Nb2 Nb3 36.8(2) . .
O18 Nb2 Nb3 145.0(2) 10 .
O5 Nb2 Nb3 89.20(3) . .
O3 Nb2 Nb3 90.41(3) . .
O2 Nb2 Nb3 132.15(15) 10 .
O2 Nb2 Nb3 46.25(15) . .
Nb3 Nb2 Nb3 177.89(5) 10 .
O8 Nb3 O4 103.0(3) . .
O8 Nb3 O9 102.0(4) . .
O4 Nb3 O9 91.8(3) . .
O8 Nb3 O14 99.3(3) . .
O4 Nb3 O14 91.1(3) . .
O9 Nb3 O14 157.3(3) . .
O8 Nb3 O18 99.5(3) . .
O4 Nb3 O18 157.3(3) . .
O9 Nb3 O18 87.0(3) . .
O14 Nb3 O18 81.8(3) . .
O8 Nb3 O2 168.9(3) . .
O4 Nb3 O2 85.4(2) . .
O9 Nb3 O2 84.8(3) . .
O14 Nb3 O2 72.9(2) . .
O18 Nb3 O2 71.9(2) . .
O8 Nb3 Nb2 130.0(2) . .
O4 Nb3 Nb2 126.84(19) . .
O9 Nb3 Nb2 82.8(3) . .
O14 Nb3 Nb2 77.44(18) . .
O18 Nb3 Nb2 30.53(17) . .
O2 Nb3 Nb2 41.49(14) . .
O12 Nb4 O6 103.3(3) . .
O12 Nb4 O14 100.2(3) . .
O6 Nb4 O14 101.2(3) . .
O12 Nb4 O3 99.6(3) . .
O6 Nb4 O3 150.3(3) . .
O14 Nb4 O3 93.0(3) . .
O12 Nb4 O10 98.8(3) . .
O6 Nb4 O10 86.6(3) . .
O14 Nb4 O10 157.1(3) . .
O3 Nb4 O10 71.2(3) . .
O12 Nb4 O2 169.4(3) . .
O6 Nb4 O2 87.2(3) . .
O14 Nb4 O2 75.5(3) . .
O3 Nb4 O2 71.2(3) . .
O10 Nb4 O2 83.6(3) . .
O1 Nb5 O19 99.9(3) . .
O1 Nb5 O15 99.0(4) . .
O19 Nb5 O15 92.6(4) . .
O1 Nb5 O6 102.5(3) . .
O19 Nb5 O6 89.9(3) . .
O15 Nb5 O6 157.6(3) . .
O1 Nb5 O11 98.0(3) . .
O19 Nb5 O11 162.0(3) . .
O15 Nb5 O11 86.9(3) . .
O6 Nb5 O11 83.9(3) . .
O1 Nb5 O7 169.7(3) . .
O19 Nb5 O7 74.1(3) . .
O15 Nb5 O7 73.3(3) . .
O6 Nb5 O7 86.0(2) . .
O11 Nb5 O7 88.5(3) . .
O7 Ge1 O2 110.8(2) . .
O7 Ge1 O2 110.8(2) . 12
O2 Ge1 O2 111.0(4) . 12
O7 Ge1 O13 109.9(4) . .
O2 Ge1 O13 107.1(2) . .
O2 Ge1 O13 107.1(2) 12 .
O11 Ge2 O11 105.2(5) 10 .
O11 Ge2 O10 114.2(3) 10 .
O11 Ge2 O10 114.2(3) . .
O11 Ge2 O17 107.2(3) 10 .
O11 Ge2 O17 107.2(3) . .
O10 Ge2 O17 108.5(5) . .
O11 Ge2 Na1 52.6(2) 10 .
O11 Ge2 Na1 52.6(2) . .
O10 Ge2 Na1 133.8(3) . .
O17 Ge2 Na1 117.7(4) . .
O11 Ge2 Na2 57.3(3) 10 10
O11 Ge2 Na2 100.5(3) . 10
O10 Ge2 Na2 145.1(2) . 10
O17 Ge2 Na2 53.8(4) . 10
Na1 Ge2 Na2 71.6(2) . 10
O11 Ge2 Na2 100.5(3) 10 .
O11 Ge2 Na2 57.3(3) . .
O10 Ge2 Na2 145.1(2) . .
O17 Ge2 Na2 53.8(4) . .
Na1 Ge2 Na2 71.6(2) . .
Na2 Ge2 Na2 54.1(2) 10 .
N3 Cu1 N3 180.0(5) 13 .
N3 Cu1 N1 84.5(4) 13 13
N3 Cu1 N1 95.5(4) . 13
N3 Cu1 N1 95.5(4) 13 .
N3 Cu1 N1 84.5(4) . .
N1 Cu1 N1 180.00(17) 13 .
N2 Cu2 N2 84.3(9) 10 9_565
N2 Cu2 N2 180.0(8) 10 2_565
N2 Cu2 N2 95.7(9) 9_565 2_565
N2 Cu2 N2 95.7(9) 10 .
N2 Cu2 N2 180.0(8) 9_565 .
N2 Cu2 N2 84.3(9) 2_565 .
O11 Na1 O11 133.6(5) 3 .
O11 Na1 O11 92.1(4) 3 10
O11 Na1 O11 69.6(3) . 10
O11 Na1 O11 69.6(3) 3 12
O11 Na1 O11 92.1(4) . 12
O11 Na1 O11 133.6(5) 10 12
O11 Na1 O1W 83.1(3) 3 9
O11 Na1 O1W 132.9(2) . 9
O11 Na1 O1W 83.1(3) 10 9
O11 Na1 O1W 132.9(2) 12 9
O11 Na1 O1W 132.9(2) 3 .
O11 Na1 O1W 83.1(3) . .
O11 Na1 O1W 132.9(2) 10 .
O11 Na1 O1W 83.1(3) 12 .
O1W Na1 O1W 89.1(9) 9 .
O11 Na1 Ge2 116.9(3) 3 .
O11 Na1 Ge2 34.83(17) . .
O11 Na1 Ge2 34.83(17) 10 .
O11 Na1 Ge2 116.9(3) 12 .
O1W Na1 Ge2 109.50(16) 9 .
O1W Na1 Ge2 109.50(16) . .
O11 Na1 Ge2 34.83(17) 3 3
O11 Na1 Ge2 116.9(3) . 3
O11 Na1 Ge2 116.9(3) 10 3
O11 Na1 Ge2 34.83(17) 12 3
O1W Na1 Ge2 109.50(16) 9 3
O1W Na1 Ge2 109.50(16) . 3
Ge2 Na1 Ge2 124.1(3) . 3
O11 Na1 Na1 113.2(3) 3 9
O11 Na1 Na1 113.2(3) . 9
O11 Na1 Na1 113.2(3) 10 9
O11 Na1 Na1 113.2(3) 12 9
O1W Na1 Na1 44.5(5) 9 9
O1W Na1 Na1 44.5(5) . 9
Ge2 Na1 Na1 117.93(16) . 9
Ge2 Na1 Na1 117.93(16) 3 9
O11 Na1 Na2 50.84(19) 3 9
O11 Na1 Na2 169.9(2) . 9
O11 Na1 Na2 120.4(2) 10 9
O11 Na1 Na2 81.2(2) 12 9
O1W Na1 Na2 52.20(13) 9 9
O1W Na1 Na2 88.5(3) . 9
Ge2 Na1 Na2 155.21(11) . 9
Ge2 Na1 Na2 60.78(9) 3 9
Na1 Na1 Na2 63.38(14) 9 9
O11 Na1 Na2 169.9(2) 3 .
O11 Na1 Na2 50.84(19) . .
O11 Na1 Na2 81.2(2) 10 .
O11 Na1 Na2 120.4(2) 12 .
O1W Na1 Na2 88.5(3) 9 .
O1W Na1 Na2 52.20(13) . .
Ge2 Na1 Na2 60.78(9) . .
Ge2 Na1 Na2 155.21(11) 3 .
Na1 Na1 Na2 63.38(14) 9 .
Na2 Na1 Na2 126.8(3) 9 .
O11 Na1 Na2 81.2(2) 3 2
O11 Na1 Na2 120.4(2) . 2
O11 Na1 Na2 169.9(2) 10 2
O11 Na1 Na2 50.84(19) 12 2
O1W Na1 Na2 88.5(3) 9 2
O1W Na1 Na2 52.20(13) . 2
Ge2 Na1 Na2 155.21(11) . 2
Ge2 Na1 Na2 60.78(9) 3 2
Na1 Na1 Na2 63.38(14) 9 2
Na2 Na1 Na2 49.5(2) 9 2
Na2 Na1 Na2 104.4(2) . 2
O6W Na2 O6W 65.3(14) . 11
O6W Na2 O17 64.2(7) . .
O6W Na2 O17 111.5(8) 11 .
O6W Na2 O17 111.5(8) . 11
O6W Na2 O17 64.2(7) 11 11
O17 Na2 O17 95.8(4) . 11
O6W Na2 O11 83.0(7) . .
O6W Na2 O11 147.2(7) 11 .
O17 Na2 O11 57.0(2) . .
O17 Na2 O11 141.1(3) 11 .
O6W Na2 O11 147.2(7) . 11
O6W Na2 O11 83.0(7) 11 11
O17 Na2 O11 141.1(3) . 11
O17 Na2 O11 57.0(2) 11 11
O11 Na2 O11 126.3(4) . 11
O6W Na2 Na2 114.8(7) . 10
O6W Na2 Na2 114.8(7) 11 10
O17 Na2 Na2 55.94(19) . 10
O17 Na2 Na2 55.94(19) 11 10
O11 Na2 Na2 85.19(19) . 10
O11 Na2 Na2 85.19(19) 11 10
O6W Na2 Ge2 138.5(7) . 11
O6W Na2 Ge2 78.2(7) 11 11
O17 Na2 Ge2 116.2(3) . 11
O17 Na2 Ge2 29.6(2) 11 11
O11 Na2 Ge2 134.5(3) . 11
O11 Na2 Ge2 28.87(13) 11 11
Na2 Na2 Ge2 62.94(11) 10 11
O6W Na2 Ge2 78.2(7) . .
O6W Na2 Ge2 138.5(7) 11 .
O17 Na2 Ge2 29.6(2) . .
O17 Na2 Ge2 116.2(3) 11 .
O11 Na2 Ge2 28.87(13) . .
O11 Na2 Ge2 134.5(3) 11 .
Na2 Na2 Ge2 62.94(11) 10 .
Ge2 Na2 Ge2 124.1(2) 11 .
O6W Na2 Na1 173.7(7) . 9
O6W Na2 Na1 120.7(7) 11 9
O17 Na2 Na1 112.9(3) . 9
O17 Na2 Na1 74.0(3) 11 9
O11 Na2 Na1 90.8(3) . 9
O11 Na2 Na1 38.2(2) 11 9
Na2 Na2 Na1 65.26(11) 10 9
Ge2 Na2 Na1 47.62(14) 11 9
Ge2 Na2 Na1 96.8(2) . 9
O6W Na2 Na1 120.7(7) . .
O6W Na2 Na1 173.7(7) 11 .
O17 Na2 Na1 74.0(3) . .
O17 Na2 Na1 112.9(3) 11 .
O11 Na2 Na1 38.2(2) . .
O11 Na2 Na1 90.8(3) 11 .
Na2 Na2 Na1 65.26(11) 10 .
Ge2 Na2 Na1 96.8(2) 11 .
Ge2 Na2 Na1 47.62(14) . .
Na1 Na2 Na1 53.2(3) 9 .
O15 Na3 O15 109.4(9) . 2
O15 Na3 O4W 98.2(3) . .
O15 Na3 O4W 98.2(3) 2 .
O15 Na3 O4W 98.2(3) . 2
O15 Na3 O4W 98.2(3) 2 2
O4W Na3 O4W 151.5(13) . 2
O8 Na4 O8 109.7(6) 12 .
O14 Na5 O2W 109.1(8) . .
O14 Na5 Na5 147.7(5) . 12_655
O2W Na5 Na5 96.9(5) . 12_655
Ge1 O2 Nb2 124.4(3) . .
Ge1 O2 Nb4 125.0(3) . .
Nb2 O2 Nb4 96.3(2) . .
Ge1 O2 Nb3 119.6(3) . .
Nb2 O2 Nb3 92.3(2) . .
Nb4 O2 Nb3 90.2(2) . .
Nb2 O3 Nb4 112.1(3) . 10
Nb2 O3 Nb4 112.1(3) . .
Nb4 O3 Nb4 106.7(4) 10 .
Nb3 O4 Nb1 151.4(4) . .
Nb2 O5 Nb2 164.4(7) . 3
Nb4 O6 Nb5 158.7(4) . .
Ge1 O7 Nb1 120.7(4) . .
Ge1 O7 Nb5 125.1(2) . .
Nb1 O7 Nb5 91.9(2) . .
Ge1 O7 Nb5 125.1(2) . 12
Nb1 O7 Nb5 91.9(2) . 12
Nb5 O7 Nb5 92.9(3) . 12
Nb3 O8 Na4 105.1(4) . .
Nb3 O9 Nb3 144.7(5) 12 .
Ge2 O10 Nb4 126.96(19) . .
Ge2 O10 Nb4 126.96(19) . 10
Nb4 O10 Nb4 105.0(4) . 10
Ge2 O11 Nb5 134.3(4) . .
Ge2 O11 Na1 92.6(3) . .
Nb5 O11 Na1 130.6(3) . .
Ge2 O11 Na2 93.9(3) . .
Nb5 O11 Na2 98.8(3) . .
Na1 O11 Na2 90.9(3) . .
Ge1 O13 Ge1 117.7(6) 10 .
Nb4 O14 Nb3 120.4(3) . .
Nb4 O14 Na5 118.9(6) . .
Nb3 O14 Na5 120.6(5) . .
Nb5 O15 Nb5 120.1(5) . 12
Nb5 O15 Na3 116.5(3) . .
Nb5 O15 Na3 116.5(3) 12 .
Ge2 O17 Na2 96.6(4) . 10
Ge2 O17 Na2 96.6(4) . .
Na2 O17 Na2 68.1(4) 10 .
Nb2 O18 Nb3 112.7(3) . .
Nb5 O19 Nb1 119.8(3) . .
Na1 O1W Na1 90.9(9) 9 .
N2 C1 C1 120.4(16) . 2_565
C3 C2 N3 113.9(14) . .
C2 C3 N1 115.3(12) . .
C3 N1 Cu1 109.5(7) . .
C1 N2 Cu2 107.5(18) . .
C2 N3 Cu1 108.9(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Nb1 O16 1.787(9) .
Nb1 O19 1.974(7) 12
Nb1 O19 1.974(7) .
Nb1 O4 1.997(7) .
Nb1 O4 1.997(7) 12
Nb1 O7 2.356(8) .
Nb2 O18 1.836(6) .
Nb2 O18 1.836(6) 10
Nb2 O5 1.910(2) .
Nb2 O3 2.028(10) .
Nb2 O2 2.211(6) 10
Nb2 O2 2.211(6) .
Nb2 Nb3 3.3347(10) 10
Nb2 Nb3 3.3347(10) .
Nb3 O8 1.769(7) .
Nb3 O4 1.880(6) .
Nb3 O9 1.931(3) .
Nb3 O14 2.041(7) .
Nb3 O18 2.163(6) .
Nb3 O2 2.411(6) .
Nb4 O12 1.775(8) .
Nb4 O6 1.864(6) .
Nb4 O14 1.891(6) .
Nb4 O3 2.121(5) .
Nb4 O10 2.145(5) .
Nb4 O2 2.407(6) .
Nb5 O1 1.760(7) .
Nb5 O19 1.951(7) .
Nb5 O15 1.981(5) .
Nb5 O6 2.005(7) .
Nb5 O11 2.050(7) .
Nb5 O7 2.369(6) .
Ge1 O7 1.736(8) .
Ge1 O2 1.750(6) .
Ge1 O2 1.750(6) 12
Ge1 O13 1.757(6) .
Ge2 O11 1.722(7) 10
Ge2 O11 1.722(7) .
Ge2 O10 1.752(9) .
Ge2 O17 1.771(10) .
Ge2 Na1 3.013(5) .
Ge2 Na2 3.559(4) 10
Ge2 Na2 3.559(4) .
Cu1 N3 2.004(10) 13
Cu1 N3 2.004(10) .
Cu1 N1 2.004(8) 13
Cu1 N1 2.004(8) .
Cu2 N2 2.007(14) 10
Cu2 N2 2.007(14) 9_565
Cu2 N2 2.007(14) 2_565
Cu2 N2 2.007(14) .
Na1 O11 2.395(8) 3
Na1 O11 2.395(8) .
Na1 O11 2.395(8) 10
Na1 O11 2.395(8) 12
Na1 O1W 2.43(2) 9
Na1 O1W 2.43(2) .
Na1 Ge2 3.013(5) 3
Na1 Na1 3.467(18) 9
Na1 Na2 3.870(9) 9
Na1 Na2 3.870(9) .
Na1 Na2 3.870(9) 2
Na2 O6W 2.88(4) .
Na2 O6W 2.88(4) 11
Na2 O17 2.891(11) .
Na2 O17 2.891(11) 11
Na2 O11 3.001(8) .
Na2 O11 3.001(8) 11
Na2 Na2 3.239(15) 10
Na2 Ge2 3.559(4) 11
Na2 Na1 3.870(9) 9
Na3 O15 2.736(17) .
Na3 O15 2.736(17) 2
Na3 O4W 2.90(3) .
Na3 O4W 2.90(3) 2
Na4 O8 2.943(12) 12
Na4 O8 2.943(12) .
Na5 O14 2.69(2) .
Na5 O2W 2.75(2) .
Na5 Na5 3.31(4) 12_655
O3 Nb4 2.121(5) 10
O5 Nb2 1.910(2) 3
O7 Nb5 2.369(6) 12
O9 Nb3 1.931(3) 12
O10 Nb4 2.145(5) 10
O13 Ge1 1.757(6) 10
O15 Nb5 1.981(5) 12
O17 Na2 2.891(11) 10
O1W Na1 2.43(2) 9
C1 N2 1.318(10) .
C1 C1 1.36(6) 2_565
C2 C3 1.40(2) .
C2 N3 1.446(17) .
C3 N1 1.413(17) .
