# Supplementary Information (SI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2025

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 2332954'
loop_
_audit_author_name
_audit_author_address
'Ilyas belkhettab'
;Research Center in Semiconductors Technology for Energetics 
Algeria
;
_audit_update_record             
;
2024-02-14 deposited with the CCDC.	2025-09-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Cu Na4 O12 W3'
_chemical_formula_weight         899.05

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 '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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   12.417
_cell_length_b                   13.903
_cell_length_c                   7.153
_cell_angle_alpha                90
_cell_angle_beta                 111.541(5)
_cell_angle_gamma                90
_cell_volume                     1148.60(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    25
_cell_measurement_theta_min      10.36
_cell_measurement_theta_max      14.55

_exptl_crystal_description       prism
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    5.199
_exptl_crystal_F_000             1564
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_exptl_absorpt_coefficient_mu    31.978
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_correction_T_min  0.6203
_exptl_absorpt_correction_T_max  0.9928
_exptl_absorpt_process_details   
;
North A.C.T., Phillips D.C. & Mathews F.S. (1968) Acta. Cryst. A24, 351
Number of psi-scan sets used was   4
Theta correction was applied.
Averaged transmission function was used.
No Fourier smoothing was applied.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Enraf Nonius FR590'
_diffrn_measurement_device_type  'κ-geometry diffractometer'
_diffrn_measurement_method       'ω/2τ scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            2706
_diffrn_reflns_av_unetI/netI     0.0995
_diffrn_reflns_av_R_equivalents  0.0958
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_theta_min         2.292
_diffrn_reflns_theta_max         26.998
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             1256
_reflns_number_gt                1118
_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       'CAD4 Express (Enraf--Nonius, 1994)'
_computing_cell_refinement       'CAD4 Express (Enraf--Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+88.8829P] 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     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.00104(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         1256
_refine_ls_number_parameters     97
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0478
_refine_ls_R_factor_gt           0.0408
_refine_ls_wR_factor_ref         0.1060
_refine_ls_wR_factor_gt          0.1027
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_restrained_S_all      1.093
_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
W1 W 0.77528(4) 0.10980(4) -0.61789(8) 0.0152(2) Uani 1 1 d . . . . .
W2 W 0.5000 0.21328(6) -0.2500 0.0345(4) Uani 1 2 d S T P . .
Na1 Na 1.0000 0.2720(6) -0.2500 0.0171(16) Uani 1 2 d S T P . .
Na2 Na 1.0000 -0.0106(16) -0.2500 0.072(5) Uani 1 2 d S T P . .
Na3 Na 0.5000 0.0000 -1.0000 0.031(2) Uani 1 2 d S . P . .
Cu Cu 0.7975(2) 0.1601(2) -1.1144(4) 0.0137(9) Uani 0.478(13) 1 d . . P . .
Na4 Na 0.7975(2) 0.1601(2) -1.1144(4) 0.0137(9) Uani 0.522(14) 1 d . . P . .
O1 O 0.617(2) 0.1313(10) -0.238(2) 0.066(6) Uani 1 1 d . . . . .
O2 O 0.5373(8) 0.2830(8) -0.0246(15) 0.018(2) Uani 1 1 d . . . . .
O3 O 0.6265(8) 0.0832(8) -0.6891(16) 0.023(2) Uani 1 1 d . . . . .
O4 O 0.8293(9) 0.1727(8) -0.3852(18) 0.027(2) Uani 1 1 d . . . . .
O5 O 0.7962(11) 0.1764(9) -0.8154(19) 0.034(3) Uani 1 1 d . . . . .
O6 O 0.8562(9) 0.0017(7) -0.5868(17) 0.023(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
W1 O3 1.766(10) . ?
W1 O6 1.775(10) . ?
W1 O4 1.780(12) . ?
W1 O5 1.787(12) . ?
W1 Na2 3.481(10) . ?
W1 Na2 3.538(8) 5_754 ?
W1 Na4 3.579(2) 1_556 ?
W1 Na1 3.592(4) 7_654 ?
W1 Na4 3.667(3) 7_653 ?
W2 O2 1.790(10) . ?
W2 O2 1.790(10) 2_654 ?
W2 O1 1.827(18) 2_654 ?
W2 O1 1.827(18) . ?
W2 Na4 3.377(3) 7_654 ?
W2 Na4 3.377(3) 8_456 ?
W2 Na3 3.4628(7) 2_653 ?
W2 Na3 3.4628(7) 1_556 ?
W2 Na4 3.535(3) 2_653 ?
W2 Na4 3.535(3) 1_556 ?
W2 Na1 3.5825(5) 7_655 ?
W2 Na1 3.5825(5) 7_654 ?
Na1 O2 2.308(10) 8 ?
Na1 O2 2.308(10) 7_655 ?
Na1 O4 2.414(12) . ?
Na1 O4 2.414(12) 2_754 ?
Na1 O3 2.491(13) 8_556 ?
Na1 O3 2.491(13) 7_654 ?
Na1 Na4 3.388(5) 1_556 ?
Na1 Cu 3.388(5) 1_556 ?
Na1 Na4 3.388(5) 2_753 ?
Na1 Cu 3.388(5) 2_753 ?
Na1 W2 3.5825(5) 7_655 ?
Na1 W2 3.5825(5) 7_654 ?
Na2 O6 2.421(11) . ?
Na2 O6 2.421(11) 2_754 ?
Na2 O6 2.470(10) 6_556 ?
Na2 O6 2.470(10) 5_754 ?
Na2 W1 3.481(10) 2_754 ?
Na2 W1 3.538(8) 6_556 ?
Na2 W1 3.538(8) 5_754 ?
Na2 Na4 3.554(13) 6_556 ?
Na2 Cu 3.554(13) 6_556 ?
Na2 Cu 3.554(13) 5_754 ?
Na2 Na4 3.554(13) 5_754 ?
Na3 O3 2.487(10) . ?
Na3 O3 2.487(10) 5_653 ?
Na3 O1 2.639(18) 6 ?
Na3 O1 2.639(18) 2_653 ?
Na3 O3 2.683(11) 6 ?
Na3 O3 2.683(11) 2_653 ?
Na3 W2 3.4628(8) 1_554 ?
Na3 W2 3.4628(8) 5_654 ?
Na3 Na3 3.5766 2_652 ?
Na3 Na3 3.576650(4) 2_653 ?
Na3 Na1 3.639(8) 7_654 ?
Na3 Na1 3.639(8) 3_444 ?
Cu O2 2.081(10) 7_654 ?
Cu O1 2.12(2) 1_554 ?
Cu O4 2.122(12) 1_554 ?
Cu O5 2.156(13) . ?
Cu O6 2.351(11) 6 ?
Cu Na1 3.388(5) 1_554 ?
Cu Na4 3.425(5) 7_653 ?
Cu Na2 3.554(13) 5_754 ?
O1 Na4 2.12(2) 1_556 ?
O1 Cu 2.12(2) 1_556 ?
O1 Na3 2.639(18) 2_653 ?
O2 Na4 2.081(10) 7_654 ?
O2 Cu 2.081(10) 7_654 ?
O2 Na1 2.308(10) 7_655 ?
O3 Na1 2.491(13) 7_654 ?
O3 Na3 2.683(11) 2_653 ?
O4 Na4 2.122(12) 1_556 ?
O4 Cu 2.122(12) 1_556 ?
O5 Na4 2.519(12) 7_653 ?
O6 Na4 2.351(11) 6_556 ?
O6 Cu 2.351(11) 6_556 ?
O6 Na2 2.470(10) 5_754 ?

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
O3 W1 O6 110.0(5) . . ?
O3 W1 O4 111.6(5) . . ?
O6 W1 O4 107.3(5) . . ?
O3 W1 O5 108.7(5) . . ?
O6 W1 O5 107.3(5) . . ?
O4 W1 O5 111.7(5) . . ?
O3 W1 Na2 125.5(4) . . ?
O6 W1 Na2 40.4(4) . . ?
O4 W1 Na2 66.8(5) . . ?
O5 W1 Na2 122.5(4) . . ?
O3 W1 Na2 133.3(4) . 5_754 ?
O6 W1 Na2 40.4(4) . 5_754 ?
O4 W1 Na2 112.2(4) . 5_754 ?
O5 W1 Na2 68.5(5) . 5_754 ?
Na2 W1 Na2 61.49(5) . 5_754 ?
O3 W1 Na4 91.0(4) . 1_556 ?
O6 W1 Na4 102.0(4) . 1_556 ?
O4 W1 Na4 25.7(4) . 1_556 ?
O5 W1 Na4 135.6(4) . 1_556 ?
Na2 W1 Na4 65.73(16) . 1_556 ?
Na2 W1 Na4 124.62(5) 5_754 1_556 ?
O3 W1 Na1 39.3(4) . 7_654 ?
O6 W1 Na1 149.3(4) . 7_654 ?
O4 W1 Na1 91.0(4) . 7_654 ?
O5 W1 Na1 87.5(4) . 7_654 ?
Na2 W1 Na1 147.13(5) . 7_654 ?
Na2 W1 Na1 151.12(9) 5_754 7_654 ?
Na4 W1 Na1 83.66(5) 1_556 7_654 ?
O3 W1 Na4 90.1(4) . 7_653 ?
O6 W1 Na4 145.4(3) . 7_653 ?
O4 W1 Na4 89.8(4) . 7_653 ?
O5 W1 Na4 38.2(4) . 7_653 ?
Na2 W1 Na4 142.1(3) . 7_653 ?
Na2 W1 Na4 105.5(3) 5_754 7_653 ?
Na4 W1 Na4 105.57(5) 1_556 7_653 ?
Na1 W1 Na4 55.63(11) 7_654 7_653 ?
O2 W2 O2 114.5(7) . 2_654 ?
O2 W2 O1 108.6(5) . 2_654 ?
O2 W2 O1 110.9(6) 2_654 2_654 ?
O2 W2 O1 110.9(6) . . ?
O2 W2 O1 108.6(5) 2_654 . ?
O1 W2 O1 102.8(12) 2_654 . ?
O2 W2 Na4 31.8(3) . 7_654 ?
O2 W2 Na4 106.6(3) 2_654 7_654 ?
O1 W2 Na4 135.8(5) 2_654 7_654 ?
O1 W2 Na4 86.2(6) . 7_654 ?
O2 W2 Na4 106.6(3) . 8_456 ?
O2 W2 Na4 31.8(3) 2_654 8_456 ?
O1 W2 Na4 86.2(6) 2_654 8_456 ?
O1 W2 Na4 135.8(5) . 8_456 ?
Na4 W2 Na4 117.16(10) 7_654 8_456 ?
O2 W2 Na3 151.6(3) . 2_653 ?
O2 W2 Na3 92.7(3) 2_654 2_653 ?
O1 W2 Na3 66.0(5) 2_654 2_653 ?
O1 W2 Na3 48.6(6) . 2_653 ?
Na4 W2 Na3 134.73(5) 7_654 2_653 ?
Na4 W2 Na3 100.90(4) 8_456 2_653 ?
O2 W2 Na3 92.7(3) . 1_556 ?
O2 W2 Na3 151.6(3) 2_654 1_556 ?
O1 W2 Na3 48.6(6) 2_654 1_556 ?
O1 W2 Na3 65.9(5) . 1_556 ?
Na4 W2 Na3 100.90(4) 7_654 1_556 ?
Na4 W2 Na3 134.73(5) 8_456 1_556 ?
Na3 W2 Na3 62.187(15) 2_653 1_556 ?
O2 W2 Na4 105.0(3) . 2_653 ?
O2 W2 Na4 88.1(3) 2_654 2_653 ?
O1 W2 Na4 28.6(6) 2_654 2_653 ?
O1 W2 Na4 128.1(6) . 2_653 ?
Na4 W2 Na4 136.70(7) 7_654 2_653 ?
Na4 W2 Na4 59.35(8) 8_456 2_653 ?
Na3 W2 Na4 82.95(5) 2_653 2_653 ?
Na3 W2 Na4 76.38(5) 1_556 2_653 ?
O2 W2 Na4 88.1(3) . 1_556 ?
O2 W2 Na4 105.0(3) 2_654 1_556 ?
O1 W2 Na4 128.1(6) 2_654 1_556 ?
O1 W2 Na4 28.6(6) . 1_556 ?
Na4 W2 Na4 59.35(8) 7_654 1_556 ?
Na4 W2 Na4 136.70(7) 8_456 1_556 ?
Na3 W2 Na4 76.38(5) 2_653 1_556 ?
Na3 W2 Na4 82.95(5) 1_556 1_556 ?
Na4 W2 Na4 155.85(9) 2_653 1_556 ?
O2 W2 Na1 33.4(3) . 7_655 ?
O2 W2 Na1 140.7(4) 2_654 7_655 ?
O1 W2 Na1 77.9(4) 2_654 7_655 ?
O1 W2 Na1 106.3(5) . 7_655 ?
Na4 W2 Na1 58.18(9) 7_654 7_655 ?
Na4 W2 Na1 117.89(10) 8_456 7_655 ?
Na3 W2 Na1 124.36(14) 2_653 7_655 ?
Na3 W2 Na1 62.18(14) 1_556 7_655 ?
Na4 W2 Na1 84.43(5) 2_653 7_655 ?
Na4 W2 Na1 96.94(5) 1_556 7_655 ?
O2 W2 Na1 140.7(4) . 7_654 ?
O2 W2 Na1 33.4(3) 2_654 7_654 ?
O1 W2 Na1 106.3(5) 2_654 7_654 ?
O1 W2 Na1 77.9(4) . 7_654 ?
Na4 W2 Na1 117.89(10) 7_654 7_654 ?
Na4 W2 Na1 58.18(9) 8_456 7_654 ?
Na3 W2 Na1 62.18(14) 2_653 7_654 ?
Na3 W2 Na1 124.36(14) 1_556 7_654 ?
Na4 W2 Na1 96.94(5) 2_653 7_654 ?
Na4 W2 Na1 84.43(5) 1_556 7_654 ?
Na1 W2 Na1 173.5(3) 7_655 7_654 ?
O2 Na1 O2 141.3(7) 8 7_655 ?
O2 Na1 O4 83.7(4) 8 . ?
O2 Na1 O4 74.4(4) 7_655 . ?
O2 Na1 O4 74.4(4) 8 2_754 ?
O2 Na1 O4 83.7(4) 7_655 2_754 ?
O4 Na1 O4 110.2(7) . 2_754 ?
O2 Na1 O3 96.1(4) 8 8_556 ?
O2 Na1 O3 115.4(4) 7_655 8_556 ?
O4 Na1 O3 159.5(4) . 8_556 ?
O4 Na1 O3 89.3(4) 2_754 8_556 ?
O2 Na1 O3 115.4(4) 8 7_654 ?
O2 Na1 O3 96.1(4) 7_655 7_654 ?
O4 Na1 O3 89.3(4) . 7_654 ?
O4 Na1 O3 159.5(4) 2_754 7_654 ?
O3 Na1 O3 72.2(5) 8_556 7_654 ?
O2 Na1 Na4 119.6(4) 8 1_556 ?
O2 Na1 Na4 37.1(2) 7_655 1_556 ?
O4 Na1 Na4 38.5(3) . 1_556 ?
O4 Na1 Na4 104.9(4) 2_754 1_556 ?
O3 Na1 Na4 143.9(3) 8_556 1_556 ?
O3 Na1 Na4 86.2(2) 7_654 1_556 ?
O2 Na1 Cu 119.6(4) 8 1_556 ?
O2 Na1 Cu 37.1(2) 7_655 1_556 ?
O4 Na1 Cu 38.5(3) . 1_556 ?
O4 Na1 Cu 104.9(4) 2_754 1_556 ?
O3 Na1 Cu 143.9(3) 8_556 1_556 ?
O3 Na1 Cu 86.2(2) 7_654 1_556 ?
Na4 Na1 Cu 0.0 1_556 1_556 ?
O2 Na1 Na4 37.1(2) 8 2_753 ?
O2 Na1 Na4 119.6(4) 7_655 2_753 ?
O4 Na1 Na4 104.9(4) . 2_753 ?
O4 Na1 Na4 38.5(3) 2_754 2_753 ?
O3 Na1 Na4 86.2(2) 8_556 2_753 ?
O3 Na1 Na4 143.9(3) 7_654 2_753 ?
Na4 Na1 Na4 125.3(3) 1_556 2_753 ?
Cu Na1 Na4 125.3(3) 1_556 2_753 ?
O2 Na1 Cu 37.1(2) 8 2_753 ?
O2 Na1 Cu 119.6(4) 7_655 2_753 ?
O4 Na1 Cu 104.9(4) . 2_753 ?
O4 Na1 Cu 38.5(3) 2_754 2_753 ?
O3 Na1 Cu 86.2(2) 8_556 2_753 ?
O3 Na1 Cu 143.9(3) 7_654 2_753 ?
Na4 Na1 Cu 125.3 1_556 2_753 ?
Cu Na1 Cu 125.3(3) 1_556 2_753 ?
Na4 Na1 Cu 0.0 2_753 2_753 ?
O2 Na1 W2 160.4(4) 8 7_655 ?
O2 Na1 W2 25.2(3) 7_655 7_655 ?
O4 Na1 W2 96.4(3) . 7_655 ?
O4 Na1 W2 87.4(3) 2_754 7_655 ?
O3 Na1 W2 90.6(3) 8_556 7_655 ?
O3 Na1 W2 84.1(3) 7_654 7_655 ?
Na4 Na1 W2 57.87(5) 1_556 7_655 ?
Cu Na1 W2 57.87(5) 1_556 7_655 ?
Na4 Na1 W2 125.74(12) 2_753 7_655 ?
Cu Na1 W2 125.74(12) 2_753 7_655 ?
O2 Na1 W2 25.2(3) 8 7_654 ?
O2 Na1 W2 160.4(4) 7_655 7_654 ?
O4 Na1 W2 87.4(3) . 7_654 ?
O4 Na1 W2 96.4(3) 2_754 7_654 ?
O3 Na1 W2 84.1(3) 8_556 7_654 ?
O3 Na1 W2 90.6(3) 7_654 7_654 ?
Na4 Na1 W2 125.74(12) 1_556 7_654 ?
Cu Na1 W2 125.74(12) 1_556 7_654 ?
Na4 Na1 W2 57.87(5) 2_753 7_654 ?
Cu Na1 W2 57.87(5) 2_753 7_654 ?
W2 Na1 W2 173.5(3) 7_655 7_654 ?
O6 Na2 O6 171.9(11) . 2_754 ?
O6 Na2 O6 94.0(4) . 6_556 ?
O6 Na2 O6 85.6(4) 2_754 6_556 ?
O6 Na2 O6 85.6(4) . 5_754 ?
O6 Na2 O6 94.0(4) 2_754 5_754 ?
O6 Na2 O6 174.3(11) 6_556 5_754 ?
O6 Na2 W1 144.3(8) . 2_754 ?
O6 Na2 W1 28.4(3) 2_754 2_754 ?
O6 Na2 W1 97.9(4) 6_556 2_754 ?
O6 Na2 W1 79.4(3) 5_754 2_754 ?
O6 Na2 W1 28.4(3) . . ?
O6 Na2 W1 144.3(8) 2_754 . ?
O6 Na2 W1 79.4(3) 6_556 . ?
O6 Na2 W1 97.9(4) 5_754 . ?
W1 Na2 W1 122.5(6) 2_754 . ?
O6 Na2 W1 85.8(3) . 6_556 ?
O6 Na2 W1 97.3(3) 2_754 6_556 ?
O6 Na2 W1 27.8(3) 6_556 6_556 ?
O6 Na2 W1 157.5(8) 5_754 6_556 ?
W1 Na2 W1 118.51(5) 2_754 6_556 ?
W1 Na2 W1 84.12(3) . 6_556 ?
O6 Na2 W1 97.3(3) . 5_754 ?
O6 Na2 W1 85.8(3) 2_754 5_754 ?
O6 Na2 W1 157.5(8) 6_556 5_754 ?
O6 Na2 W1 27.8(3) 5_754 5_754 ?
W1 Na2 W1 84.12(3) 2_754 5_754 ?
W1 Na2 W1 118.51(5) . 5_754 ?
W1 Na2 W1 134.1(6) 6_556 5_754 ?
O6 Na2 Na4 41.1(3) . 6_556 ?
O6 Na2 Na4 146.7(8) 2_754 6_556 ?
O6 Na2 Na4 86.3(4) 6_556 6_556 ?
O6 Na2 Na4 97.0(4) 5_754 6_556 ?
W1 Na2 Na4 172.2(5) 2_754 6_556 ?
W1 Na2 Na4 64.65(5) . 6_556 ?
W1 Na2 Na4 63.4(2) 6_556 6_556 ?
W1 Na2 Na4 89.5(3) 5_754 6_556 ?
O6 Na2 Cu 41.1(3) . 6_556 ?
O6 Na2 Cu 146.7(8) 2_754 6_556 ?
O6 Na2 Cu 86.3(4) 6_556 6_556 ?
O6 Na2 Cu 97.0(4) 5_754 6_556 ?
W1 Na2 Cu 172.2(5) 2_754 6_556 ?
W1 Na2 Cu 64.65(5) . 6_556 ?
W1 Na2 Cu 63.4(2) 6_556 6_556 ?
W1 Na2 Cu 89.5(3) 5_754 6_556 ?
Na4 Na2 Cu 0.0 6_556 6_556 ?
O6 Na2 Cu 146.7(8) . 5_754 ?
O6 Na2 Cu 41.1(3) 2_754 5_754 ?
O6 Na2 Cu 97.0(4) 6_556 5_754 ?
O6 Na2 Cu 86.3(4) 5_754 5_754 ?
W1 Na2 Cu 64.65(5) 2_754 5_754 ?
W1 Na2 Cu 172.2(5) . 5_754 ?
W1 Na2 Cu 89.5(3) 6_556 5_754 ?
W1 Na2 Cu 63.4(2) 5_754 5_754 ?
Na4 Na2 Cu 108.4 6_556 5_754 ?
Cu Na2 Cu 108.4(6) 6_556 5_754 ?
O6 Na2 Na4 146.7(8) . 5_754 ?
O6 Na2 Na4 41.1(3) 2_754 5_754 ?
O6 Na2 Na4 97.0(4) 6_556 5_754 ?
O6 Na2 Na4 86.3(4) 5_754 5_754 ?
W1 Na2 Na4 64.65(5) 2_754 5_754 ?
W1 Na2 Na4 172.2(5) . 5_754 ?
W1 Na2 Na4 89.5(3) 6_556 5_754 ?
W1 Na2 Na4 63.4(2) 5_754 5_754 ?
Na4 Na2 Na4 108.4(6) 6_556 5_754 ?
Cu Na2 Na4 108.4(6) 6_556 5_754 ?
Cu Na2 Na4 0.00(11) 5_754 5_754 ?
O3 Na3 O3 180.0 . 5_653 ?
O3 Na3 O1 71.6(4) . 6 ?
O3 Na3 O1 108.4(4) 5_653 6 ?
O3 Na3 O1 108.4(4) . 2_653 ?
O3 Na3 O1 71.6(4) 5_653 2_653 ?
O1 Na3 O1 180.0(6) 6 2_653 ?
O3 Na3 O3 110.9(4) . 6 ?
O3 Na3 O3 69.1(4) 5_653 6 ?
O1 Na3 O3 77.7(4) 6 6 ?
O1 Na3 O3 102.3(4) 2_653 6 ?
O3 Na3 O3 69.1(4) . 2_653 ?
O3 Na3 O3 110.9(4) 5_653 2_653 ?
O1 Na3 O3 102.3(4) 6 2_653 ?
O1 Na3 O3 77.7(4) 2_653 2_653 ?
O3 Na3 O3 180.0 6 2_653 ?
O3 Na3 W2 86.8(3) . 1_554 ?
O3 Na3 W2 93.2(3) 5_653 1_554 ?
O1 Na3 W2 148.7(4) 6 1_554 ?
O1 Na3 W2 31.3(4) 2_653 1_554 ?
O3 Na3 W2 89.9(2) 6 1_554 ?
O3 Na3 W2 90.1(2) 2_653 1_554 ?
O3 Na3 W2 93.2(3) . 5_654 ?
O3 Na3 W2 86.8(3) 5_653 5_654 ?
O1 Na3 W2 31.3(4) 6 5_654 ?
O1 Na3 W2 148.7(4) 2_653 5_654 ?
O3 Na3 W2 90.1(2) 6 5_654 ?
O3 Na3 W2 89.9(2) 2_653 5_654 ?
W2 Na3 W2 180.0 1_554 5_654 ?
O3 Na3 Na3 131.5(2) . 2_652 ?
O3 Na3 Na3 48.5(2) 5_653 2_652 ?
O1 Na3 Na3 120.5(3) 6 2_652 ?
O1 Na3 Na3 59.5(3) 2_653 2_652 ?
O3 Na3 Na3 44.0(2) 6 2_652 ?
O3 Na3 Na3 136.0(2) 2_653 2_652 ?
W2 Na3 Na3 58.907(8) 1_554 2_652 ?
W2 Na3 Na3 121.093(7) 5_654 2_652 ?
O3 Na3 Na3 48.5(2) . 2_653 ?
O3 Na3 Na3 131.5(2) 5_653 2_653 ?
O1 Na3 Na3 59.5(3) 6 2_653 ?
O1 Na3 Na3 120.5(3) 2_653 2_653 ?
O3 Na3 Na3 136.0(2) 6 2_653 ?
O3 Na3 Na3 44.0(2) 2_653 2_653 ?
W2 Na3 Na3 121.093(8) 1_554 2_653 ?
W2 Na3 Na3 58.907(7) 5_654 2_653 ?
Na3 Na3 Na3 180.0 2_652 2_653 ?
O3 Na3 Na1 43.1(3) . 7_654 ?
O3 Na3 Na1 136.9(3) 5_653 7_654 ?
O1 Na3 Na1 110.7(3) 6 7_654 ?
O1 Na3 Na1 69.3(3) 2_653 7_654 ?
O3 Na3 Na1 136.8(2) 6 7_654 ?
O3 Na3 Na1 43.2(2) 2_653 7_654 ?
W2 Na3 Na1 60.53(7) 1_554 7_654 ?
W2 Na3 Na1 119.47(7) 5_654 7_654 ?
Na3 Na3 Na1 119.43(7) 2_652 7_654 ?
Na3 Na3 Na1 60.57(7) 2_653 7_654 ?
O3 Na3 Na1 136.9(3) . 3_444 ?
O3 Na3 Na1 43.1(3) 5_653 3_444 ?
O1 Na3 Na1 69.3(3) 6 3_444 ?
O1 Na3 Na1 110.7(3) 2_653 3_444 ?
O3 Na3 Na1 43.2(2) 6 3_444 ?
O3 Na3 Na1 136.8(2) 2_653 3_444 ?
W2 Na3 Na1 119.47(7) 1_554 3_444 ?
W2 Na3 Na1 60.53(7) 5_654 3_444 ?
Na3 Na3 Na1 60.57(7) 2_652 3_444 ?
Na3 Na3 Na1 119.43(7) 2_653 3_444 ?
Na1 Na3 Na1 180.0 7_654 3_444 ?
O2 Cu O1 167.4(5) 7_654 1_554 ?
O2 Cu O4 85.6(4) 7_654 1_554 ?
O1 Cu O4 99.0(5) 1_554 1_554 ?
O2 Cu O5 81.4(4) 7_654 . ?
O1 Cu O5 92.5(5) 1_554 . ?
O4 Cu O5 165.5(5) 1_554 . ?
O2 Cu O6 95.9(4) 7_654 6 ?
O1 Cu O6 95.8(5) 1_554 6 ?
O4 Cu O6 90.0(4) 1_554 6 ?
O5 Cu O6 97.6(4) . 6 ?
O2 Cu Na1 42.0(3) 7_654 1_554 ?
O1 Cu Na1 138.4(4) 1_554 1_554 ?
O4 Cu Na1 45.1(3) 1_554 1_554 ?
O5 Cu Na1 120.8(4) . 1_554 ?
O6 Cu Na1 102.9(3) 6 1_554 ?
O2 Cu Na4 86.9(3) 7_654 7_653 ?
O1 Cu Na4 80.9(4) 1_554 7_653 ?
O4 Cu Na4 126.0(3) 1_554 7_653 ?
O5 Cu Na4 47.2(3) . 7_653 ?
O6 Cu Na4 144.0(3) 6 7_653 ?
Na1 Cu Na4 102.90(17) 1_554 7_653 ?
O2 Cu Na2 64.1(4) 7_654 5_754 ?
O1 Cu Na2 123.3(5) 1_554 5_754 ?
O4 Cu Na2 113.5(3) 1_554 5_754 ?
O5 Cu Na2 66.1(4) . 5_754 ?
O6 Cu Na2 42.6(4) 6 5_754 ?
Na1 Cu Na2 94.52(18) 1_554 5_754 ?
Na4 Cu Na2 110.6(2) 7_653 5_754 ?
W2 O1 Na4 127.1(9) . 1_556 ?
W2 O1 Cu 127.1(9) . 1_556 ?
Na4 O1 Cu 0.0 1_556 1_556 ?
W2 O1 Na3 100.1(10) . 2_653 ?
Na4 O1 Na3 130.5(7) 1_556 2_653 ?
Cu O1 Na3 130.5(7) 1_556 2_653 ?
W2 O2 Na4 121.3(5) . 7_654 ?
W2 O2 Cu 121.3(5) . 7_654 ?
Na4 O2 Cu 0.0 7_654 7_654 ?
W2 O2 Na1 121.4(5) . 7_655 ?
Na4 O2 Na1 101.0(4) 7_654 7_655 ?
Cu O2 Na1 101.0(4) 7_654 7_655 ?
W1 O3 Na3 127.3(5) . . ?
W1 O3 Na1 114.0(5) . 7_654 ?
Na3 O3 Na1 93.9(3) . 7_654 ?
W1 O3 Na3 133.6(5) . 2_653 ?
Na3 O3 Na3 87.5(3) . 2_653 ?
Na1 O3 Na3 89.3(3) 7_654 2_653 ?
W1 O4 Na4 132.9(6) . 1_556 ?
W1 O4 Cu 132.9(6) . 1_556 ?
Na4 O4 Cu 0.0 1_556 1_556 ?
W1 O4 Na1 129.0(6) . . ?
Na4 O4 Na1 96.4(4) 1_556 . ?
Cu O4 Na1 96.4(4) 1_556 . ?
W1 O5 Cu 141.8(7) . . ?
W1 O5 Na4 115.8(6) . 7_653 ?
Cu O5 Na4 93.9 . 7_653 ?
W1 O6 Na4 131.0(5) . 6_556 ?
W1 O6 Cu 131.0(5) . 6_556 ?
Na4 O6 Cu 0.0 6_556 6_556 ?
W1 O6 Na2 111.2(7) . . ?
Na4 O6 Na2 96.2(6) 6_556 . ?
Cu O6 Na2 96.2(6) 6_556 . ?
W1 O6 Na2 111.9(7) . 5_754 ?
Na4 O6 Na2 105.3(6) 6_556 5_754 ?
Cu O6 Na2 105.3(6) 6_556 5_754 ?
Na2 O6 Na2 94.4(4) . 5_754 ?

_refine_diff_density_max         2.715
_refine_diff_density_min         -7.766
_refine_diff_density_rms         0.427

