#------------------------------------------------------------------------------
#$Date: 2022-12-21 14:56:43 +0200 (Wed, 21 Dec 2022) $
#$Revision: 279962 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/81/1568136.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_1568136
loop_
_publ_author_name
'Zhou, Xiuquan'
'Kolluru, Venkata Surya Chaitanya'
'Xu, Wenqian'
'Wang, Luqing'
'Chang, Tieyan'
'Chen, Yu-Sheng'
'Yu, Lei'
'Wen, Jianguo'
'Chan, Maria K. Y.'
'Chung, Duck Young'
'Kanatzidis, Mercouri G.'
_publ_section_title
;
 Discovery of chalcogenides structures and compositions using mixed fluxes
;
_journal_issue                   7938
_journal_name_full               Nature
_journal_page_first              72
_journal_page_last               77
_journal_paper_doi               10.1038/s41586-022-05307-7
_journal_volume                  612
_journal_year                    2022
_chemical_formula_moiety         '0.5(Cu8 Na8.79 O2 Se8)'
_chemical_formula_sum            'Cu4 Na4.39 O Se4'
_chemical_formula_weight         687.04
_space_group_crystal_system      tetragonal
_space_group_IT_number           87
_space_group_name_Hall           '-I 4'
_space_group_name_H-M_alt        'I 4/m'
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     dual
_audit_contact_author_name
;
;
_audit_creation_date             2021-08-31
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.2320(16)
_cell_length_b                   11.2320(16)
_cell_length_c                   4.0301(8)
_cell_measurement_reflns_used    1193
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      58.266
_cell_measurement_theta_min      7.256
_cell_volume                     508.43(14)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0496
_diffrn_reflns_av_unetI/netI     0.0488
_diffrn_reflns_Laue_measured_fraction_full 0.967
_diffrn_reflns_Laue_measured_fraction_max 0.967
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       2
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            380
_diffrn_reflns_point_group_measured_fraction_full 0.967
_diffrn_reflns_point_group_measured_fraction_max 0.967
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.133
_diffrn_reflns_theta_min         3.628
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    22.698
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    4.488
_exptl_crystal_description       needle
_exptl_crystal_F_000             617
_refine_diff_density_max         1.205
_refine_diff_density_min         -1.742
_refine_diff_density_rms         0.314
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.884
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     24
_refine_ls_number_reflns         380
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.884
_refine_ls_R_factor_all          0.0510
_refine_ls_R_factor_gt           0.0384
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0587P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0856
_refine_ls_wR_factor_ref         0.0879
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                277
_reflns_number_total             380
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            I_Cu4Na4.4OSe4.cif
_cod_data_source_block           I
_cod_original_cell_volume        508.43(18)
_cod_database_code               1568136
_shelx_shelxl_version_number     2018/3
_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.
;
_olex2_refinement_description
;
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-y, x, z'
'y, -x, z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-x, -y, -z'
'x, y, -z'
'y, -x, -z'
'-y, x, -z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+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_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
Se01 Se 0.71836(9) 0.93237(9) 0.500000 0.0137(3) Uani 1 2 d S T P . .
Cu02 Cu 0.57852(12) 1.09650(12) 0.500000 0.0209(4) Uani 1 2 d S T P . .
Na03 Na 0.6153(4) 0.6840(4) 0.500000 0.0241(9) Uani 1 2 d S T P . .
O004 O 0.500000 0.500000 0.500000 0.021(3) Uani 1 8 d S T P . .
Na00 Na 0.500000 0.500000 0.000000 0.012(6) Uani 0.39(4) 8 d S T P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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
Cu02 Se01 Cu02 70.99(5) . 15_465
Cu02 Se01 Cu02 70.99(5) . 15_466
Cu02 Se01 Cu02 111.41(7) 15_465 15_466
Cu02 Se01 Na03 140.70(9) 15_465 7_655
Cu02 Se01 Na03 150.47(9) 15_466 13_665
Cu02 Se01 Na03 77.05(7) 15_466 13_666
Cu02 Se01 Na03 72.10(7) 15_465 7_654
Cu02 Se01 Na03 73.92(9) . 7_655
Cu02 Se01 Na03 74.85(6) 15_465 .
Cu02 Se01 Na03 77.05(7) 15_465 13_665
Cu02 Se01 Na03 74.85(6) 15_466 .
Cu02 Se01 Na03 140.70(9) 15_466 7_654
Cu02 Se01 Na03 136.48(6) . 13_666
Cu02 Se01 Na03 72.10(7) 15_466 7_655
Cu02 Se01 Na03 150.47(9) 15_465 13_666
Cu02 Se01 Na03 117.03(10) . .
Cu02 Se01 Na03 136.48(6) . 13_665
Cu02 Se01 Na03 73.92(9) . 7_654
Cu02 Se01 Na00 116.93(5) . 5
Cu02 Se01 Na00 123.88(3) 15_466 5
Cu02 Se01 Na00 123.88(3) 15_465 5
Na03 Se01 Na03 138.82(5) . 7_655
Na03 Se01 Na03 82.93(12) 13_666 13_665
Na03 Se01 Na03 80.71(12) . 13_666
Na03 Se01 Na03 68.58(15) 13_666 7_655
Na03 Se01 Na03 120.09(15) 13_666 7_654
Na03 Se01 Na03 80.71(12) . 13_665
Na03 Se01 Na03 81.74(11) 7_655 7_654
Na03 Se01 Na03 68.58(15) 13_665 7_654
Na03 Se01 Na03 138.82(5) . 7_654
Na03 Se01 Na03 120.09(15) 13_665 7_655
Na03 Se01 Na00 126.04(10) . 5
Na03 Se01 Na00 60.22(9) 13_666 5
Na03 Se01 Na00 59.87(8) 7_655 5
Na03 Se01 Na00 59.87(8) 7_654 5
Na03 Se01 Na00 60.22(9) 13_665 5
Se01 Cu02 Se01 117.37(4) . 7_655
Se01 Cu02 Se01 117.37(4) . 7_654
Se01 Cu02 Se01 111.41(7) 7_655 7_654
Se01 Cu02 Cu02 79.57(6) . 9_676
Se01 Cu02 Cu02 113.41(4) . 7_654
Se01 Cu02 Cu02 54.22(5) 7_655 7_655
Se01 Cu02 Cu02 169.84(5) 7_654 15_466
Se01 Cu02 Cu02 54.79(4) . 15_465
Se01 Cu02 Cu02 126.52(7) 7_654 7_655
Se01 Cu02 Cu02 126.52(7) 7_655 7_654
Se01 Cu02 Cu02 169.84(5) 7_655 15_465
Se01 Cu02 Cu02 113.41(4) . 7_655
Se01 Cu02 Cu02 54.79(4) . 15_466
Se01 Cu02 Cu02 78.73(3) 7_654 15_465
Se01 Cu02 Cu02 113.81(5) 7_654 9_676
Se01 Cu02 Cu02 54.22(5) 7_654 7_654
Se01 Cu02 Cu02 78.73(3) 7_655 15_466
Se01 Cu02 Cu02 113.81(5) 7_655 9_676
Se01 Cu02 Na03 178.99(10) . 9_676
Se01 Cu02 Na03 59.35(4) 7_655 11_576
Se01 Cu02 Na03 60.50(7) 7_654 7_654
Se01 Cu02 Na03 119.46(9) . 11_576
Se01 Cu02 Na03 62.06(9) . 7_654
Se01 Cu02 Na03 120.10(8) 7_655 7_654
Se01 Cu02 Na03 62.06(9) . 7_655
Se01 Cu02 Na03 63.01(5) 7_655 9_676
Se01 Cu02 Na03 60.50(7) 7_655 7_655
Se01 Cu02 Na03 59.35(4) 7_654 11_576
Se01 Cu02 Na03 63.01(5) 7_654 9_676
Se01 Cu02 Na03 120.10(8) 7_654 7_655
Cu02 Cu02 Cu02 120.65(3) 7_655 15_465
Cu02 Cu02 Cu02 60.323(16) 9_676 15_466
Cu02 Cu02 Cu02 91.12(6) 15_465 15_466
Cu02 Cu02 Cu02 60.323(16) 9_676 15_465
Cu02 Cu02 Cu02 60.324(16) 9_676 7_655
Cu02 Cu02 Cu02 59.35(3) 7_655 15_466
Cu02 Cu02 Cu02 59.35(3) 7_654 15_465
Cu02 Cu02 Cu02 91.12(6) 7_654 7_655
Cu02 Cu02 Cu02 120.65(3) 7_654 15_466
Cu02 Cu02 Cu02 60.324(16) 9_676 7_654
Cu02 Cu02 Na03 99.42(11) 9_676 9_676
Cu02 Cu02 Na03 124.71(5) 15_466 9_676
Cu02 Cu02 Na03 160.97(11) 9_676 11_576
Cu02 Cu02 Na03 123.47(9) 9_676 7_654
Cu02 Cu02 Na03 63.73(8) 15_466 7_655
Cu02 Cu02 Na03 97.45(5) 7_654 7_654
Cu02 Cu02 Na03 63.73(8) 15_465 7_654
Cu02 Cu02 Na03 171.37(6) 7_655 7_654
Cu02 Cu02 Na03 129.01(5) 15_466 11_576
Cu02 Cu02 Na03 124.71(5) 15_465 9_676
Cu02 Cu02 Na03 65.96(7) 7_654 9_676
Cu02 Cu02 Na03 97.45(5) 7_655 7_655
Cu02 Cu02 Na03 107.86(7) 7_654 11_576
Cu02 Cu02 Na03 107.86(7) 7_655 11_576
Cu02 Cu02 Na03 171.37(6) 7_654 7_655
Cu02 Cu02 Na03 129.01(5) 15_465 11_576
Cu02 Cu02 Na03 123.47(9) 9_676 7_655
Cu02 Cu02 Na03 114.61(10) 15_465 7_655
Cu02 Cu02 Na03 114.61(10) 15_466 7_654
Cu02 Cu02 Na03 65.96(7) 7_655 9_676
Na03 Cu02 Na03 118.68(5) 9_676 7_655
Na03 Cu02 Na03 70.55(12) 7_654 11_576
Na03 Cu02 Na03 73.97(10) 7_655 7_654
Na03 Cu02 Na03 70.55(12) 7_655 11_576
Na03 Cu02 Na03 118.68(5) 9_676 7_654
Na03 Cu02 Na03 61.55(16) 9_676 11_576
Se01 Na03 Se01 97.43(2) 13_666 15_466
Se01 Na03 Se01 99.29(12) . 13_665
Se01 Na03 Se01 174.78(18) 13_665 15_466
Se01 Na03 Se01 174.78(18) 13_666 15_465
Se01 Na03 Se01 82.93(11) 13_666 13_665
Se01 Na03 Se01 85.81(11) . 15_465
Se01 Na03 Se01 99.29(12) . 13_666
Se01 Na03 Se01 81.74(11) 15_465 15_466
Se01 Na03 Se01 85.81(11) . 15_466
Se01 Na03 Se01 97.43(2) 13_665 15_465
Se01 Na03 Cu02 44.66(6) . 15_465
Se01 Na03 Cu02 43.60(6) 13_665 3_755
Se01 Na03 Cu02 44.01(5) 15_465 15_465
Se01 Na03 Cu02 44.66(6) . 15_466
Se01 Na03 Cu02 136.75(7) 13_666 9_676
Se01 Na03 Cu02 88.99(6) 13_666 15_466
Se01 Na03 Cu02 136.75(7) 13_665 9_676
Se01 Na03 Cu02 141.18(17) 13_665 15_466
Se01 Na03 Cu02 44.89(6) 15_465 9_676
Se01 Na03 Cu02 44.89(6) 15_466 9_676
Se01 Na03 Cu02 138.49(7) 15_465 3_755
Se01 Na03 Cu02 138.49(7) 15_466 3_755
Se01 Na03 Cu02 93.90(12) 15_466 15_465
Se01 Na03 Cu02 87.57(13) . 3_755
Se01 Na03 Cu02 43.60(6) 13_666 3_755
Se01 Na03 Cu02 141.18(17) 13_666 15_465
Se01 Na03 Cu02 93.90(12) 15_465 15_466
Se01 Na03 Cu02 63.98(9) . 9_676
Se01 Na03 Cu02 44.01(5) 15_466 15_466
Se01 Na03 Cu02 88.99(6) 13_665 15_465
Se01 Na03 Na00 112.10(15) 15_466 .
Se01 Na03 Na00 113.10(14) 13_665 1_556
Se01 Na03 Na00 62.79(6) 15_465 .
Se01 Na03 Na00 62.79(6) 15_466 1_556
Se01 Na03 Na00 139.49(6) . .
Se01 Na03 Na00 63.19(6) 13_665 .
Se01 Na03 Na00 112.10(15) 15_465 1_556
Se01 Na03 Na00 63.19(6) 13_666 1_556
Se01 Na03 Na00 113.11(14) 13_666 .
Se01 Na03 Na00 139.49(6) . 1_556
Cu02 Na03 Cu02 50.31(7) 9_676 15_466
Cu02 Na03 Cu02 50.31(7) 9_676 15_465
Cu02 Na03 Cu02 73.97(10) 15_466 15_465
Cu02 Na03 Cu02 109.45(12) 15_465 3_755
Cu02 Na03 Cu02 109.45(12) 15_466 3_755
Cu02 Na03 Cu02 151.55(16) 9_676 3_755
O004 Na03 Se01 86.99(12) . 15_466
O004 Na03 Se01 87.82(11) . 13_665
O004 Na03 Se01 86.99(12) . 15_465
O004 Na03 Se01 87.82(11) . 13_666
O004 Na03 Se01 170.5(2) . .
O004 Na03 Cu02 129.89(12) . 15_466
O004 Na03 Cu02 101.96(14) . 3_755
O004 Na03 Cu02 129.89(12) . 15_465
O004 Na03 Cu02 106.49(16) . 9_676
O004 Na03 Na00 39.56(6) . .
O004 Na03 Na00 39.56(6) . 1_556
Na00 Na03 Cu02 102.64(12) . 9_676
Na00 Na03 Cu02 99.20(10) . 3_755
Na00 Na03 Cu02 96.39(5) . 15_465
Na00 Na03 Cu02 151.35(16) . 15_466
Na00 Na03 Cu02 151.35(16) 1_556 15_465
Na00 Na03 Cu02 96.39(5) 1_556 15_466
Na00 Na03 Cu02 99.20(10) 1_556 3_755
Na00 Na03 Cu02 102.64(12) 1_556 9_676
Na00 Na03 Na00 79.12(11) . 1_556
Na03 O004 Na03 90.0 . 3_655
Na03 O004 Na03 90.0 9_666 11_566
Na03 O004 Na03 180.0 3_655 11_566
Na03 O004 Na03 90.0 9_666 3_655
Na03 O004 Na03 90.0 . 11_566
Na03 O004 Na03 180.0 . 9_666
Na00 O004 Na03 90.0 . .
Na00 O004 Na03 90.0 . 3_655
Na00 O004 Na03 90.0 1_556 .
Na00 O004 Na03 90.0 1_556 3_655
Na00 O004 Na03 90.0 . 11_566
Na00 O004 Na03 90.0 1_556 9_666
Na00 O004 Na03 90.0 1_556 11_566
Na00 O004 Na03 90.0 . 9_666
Na00 O004 Na00 180.0 1_556 .
Se01 Na00 Se01 180.0 5_444 13_665
Na03 Na00 Se01 56.60(8) 9_666 5_444
Na03 Na00 Se01 122.66(7) 3_654 13_665
Na03 Na00 Se01 57.34(7) 11_565 13_665
Na03 Na00 Se01 123.40(8) 9_665 13_665
Na03 Na00 Se01 56.60(8) 1_554 13_665
Na03 Na00 Se01 122.66(7) 11_565 5_444
Na03 Na00 Se01 57.34(7) 3_655 5_444
Na03 Na00 Se01 56.60(8) 9_665 5_444
Na03 Na00 Se01 56.60(8) . 13_665
Na03 Na00 Se01 122.66(7) 11_566 5_444
Na03 Na00 Se01 57.34(7) 11_566 13_665
Na03 Na00 Se01 57.34(7) 3_654 5_444
Na03 Na00 Se01 123.40(8) 9_666 13_665
Na03 Na00 Se01 122.66(7) 3_655 13_665
Na03 Na00 Se01 123.40(8) . 5_444
Na03 Na00 Se01 123.40(8) 1_554 5_444
Na03 Na00 Na03 100.88(11) 11_566 3_655
Na03 Na00 Na03 100.88(11) 3_654 11_565
Na03 Na00 Na03 180.0 . 9_665
Na03 Na00 Na03 79.12(11) 11_566 11_565
Na03 Na00 Na03 66.07(6) 3_654 1_554
Na03 Na00 Na03 113.93(6) 9_665 3_655
Na03 Na00 Na03 66.07(6) 9_665 11_565
Na03 Na00 Na03 79.12(11) 3_654 3_655
Na03 Na00 Na03 100.88(11) 9_665 1_554
Na03 Na00 Na03 113.93(6) 11_566 1_554
Na03 Na00 Na03 66.07(6) . 3_655
Na03 Na00 Na03 180.0 11_565 3_655
Na03 Na00 Na03 113.93(6) . 3_654
Na03 Na00 Na03 113.93(6) . 11_565
Na03 Na00 Na03 113.93(6) 3_654 9_666
Na03 Na00 Na03 113.93(6) 1_554 3_655
Na03 Na00 Na03 113.93(6) 11_565 9_666
Na03 Na00 Na03 79.12(11) . 1_554
Na03 Na00 Na03 180.0 1_554 9_666
Na03 Na00 Na03 100.88(11) . 9_666
Na03 Na00 Na03 66.07(6) 3_655 9_666
Na03 Na00 Na03 66.07(6) 11_565 1_554
Na03 Na00 Na03 113.93(6) 9_665 11_566
Na03 Na00 Na03 79.12(11) 9_665 9_666
Na03 Na00 Na03 66.07(6) . 11_566
Na03 Na00 Na03 180.0 11_566 3_654
Na03 Na00 Na03 66.07(6) 11_566 9_666
Na03 Na00 Na03 66.07(6) 9_665 3_654
O004 Na00 Se01 90.0 1_554 5_444
O004 Na00 Se01 90.0 . 5_444
O004 Na00 Se01 90.0 . 13_665
O004 Na00 Se01 90.0 1_554 13_665
O004 Na00 Na03 129.56(6) 1_554 3_655
O004 Na00 Na03 129.56(6) 1_554 .
O004 Na00 Na03 50.44(6) . .
O004 Na00 Na03 50.44(6) . 11_566
O004 Na00 Na03 129.56(6) 1_554 9_666
O004 Na00 Na03 50.44(6) 1_554 11_565
O004 Na00 Na03 50.44(6) 1_554 1_554
O004 Na00 Na03 50.44(6) . 9_666
O004 Na00 Na03 50.44(6) 1_554 3_654
O004 Na00 Na03 129.56(6) . 3_654
O004 Na00 Na03 50.44(6) 1_554 9_665
O004 Na00 Na03 129.56(6) . 11_565
O004 Na00 Na03 50.44(6) . 3_655
O004 Na00 Na03 129.56(6) . 1_554
O004 Na00 Na03 129.56(6) 1_554 11_566
O004 Na00 Na03 129.56(6) . 9_665
O004 Na00 O004 180.0 1_554 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Se01 Cu02 2.4220(17) .
Se01 Cu02 2.4391(10) 15_465
Se01 Cu02 2.4391(10) 15_466
Se01 Na03 3.080(4) 7_655
Se01 Na03 3.043(3) 13_666
Se01 Na03 3.043(3) 13_665
Se01 Na03 3.080(4) 7_654
Se01 Na03 3.020(5) .
Se01 Na00 3.2533(11) 5
Cu02 Cu02 2.8223(14) 7_655
Cu02 Cu02 2.8223(14) 7_654
Cu02 Cu02 2.8223(14) 15_466
Cu02 Cu02 2.8223(14) 15_465
Cu02 Cu02 2.795(3) 9_676
Cu02 Na03 3.289(5) 9_676
Cu02 Na03 3.447(5) 11_576
Cu02 Na03 3.349(4) 7_655
Cu02 Na03 3.349(4) 7_654
Na03 O004 2.439(5) .
Na03 Na00 3.164(4) .
Na03 Na00 3.164(4) 1_556
O004 Na00 2.0151(4) 1_556
O004 Na00 2.0151(4) .
