 
data_shelx
 
_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
 'As4 Cl4 Cu20 Na5 O40 V4' 
_chemical_formula_weight          2670.99

loop_
 _atom_type_symbol
 _atom_type_description
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 'As'  'As'   0.0499   2.0058
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Cl'  'Cl'   0.1484   0.1585
 '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'
 'O'  'O'   0.0106   0.0060
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'V'  'V'   0.3005   0.5294
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
_space_group_crystal_system       monoclinic
_space_group_IT_number            12
_space_group_name_H-M_alt         'C 2/m'
_space_group_name_Hall            '-C 2y'
 
_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'
 'x+1/2, y+1/2, z'
 '-x+1/2, y+1/2, -z'
 '-x, -y, -z'
 'x, -y, z'
 '-x+1/2, -y+1/2, -z'
 'x+1/2, -y+1/2, z'
 
_cell_length_a                    18.0902(19)
_cell_length_b                    6.2284(6)
_cell_length_c                    8.2465(9)
_cell_angle_alpha                 90
_cell_angle_beta                  90.597(2)
_cell_angle_gamma                 90
_cell_volume                      929.11(17)
_cell_formula_units_Z             1
_cell_measurement_temperature     296(2)
_cell_measurement_reflns_used     643
_cell_measurement_theta_min       2.252
_cell_measurement_theta_max       27.982
 
_exptl_crystal_description        'prism'
_exptl_crystal_colour             ?
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_density_diffrn     4.774          
_exptl_crystal_F_000              1247
_exptl_transmission_factor_min    ?
_exptl_transmission_factor_max    ?
_exptl_crystal_size_max           ?
_exptl_crystal_size_mid           ?
_exptl_crystal_size_min           ?
_exptl_absorpt_coefficient_mu     16.131
_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       296(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_source                    ?
_diffrn_measurement_device_type   'Bruker Apex 2 Duo'
_diffrn_measurement_method        ?
_diffrn_detector_area_resol_mean  ?
_diffrn_reflns_number             2642
_diffrn_reflns_av_unetI/netI      0.0822
_diffrn_reflns_av_R_equivalents   0.0506
_diffrn_reflns_limit_h_min        -23
_diffrn_reflns_limit_h_max        23
_diffrn_reflns_limit_k_min        -8
_diffrn_reflns_limit_k_max        6
_diffrn_reflns_limit_l_min        -10
_diffrn_reflns_limit_l_max        10
_diffrn_reflns_theta_min          2.252
_diffrn_reflns_theta_max          27.982
_diffrn_reflns_theta_full         25.242
_diffrn_measured_fraction_theta_max   0.676
_diffrn_measured_fraction_theta_full  0.636
_diffrn_reflns_Laue_measured_fraction_max    0.676
_diffrn_reflns_Laue_measured_fraction_full   0.636
_diffrn_reflns_point_group_measured_fraction_max   0.676
_diffrn_reflns_point_group_measured_fraction_full  0.636
_reflns_number_total              826
_reflns_number_gt                 618
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
 
_computing_data_collection        ?
_computing_cell_refinement        ?
_computing_data_reduction         ?
_computing_structure_solution     ?
_computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics     ?
_computing_publication_material   ?
_refine_special_details
;
 Refined as a 2-component twin.
;
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1000P)²] 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-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef        0.0005(5)
_refine_ls_extinction_expression
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_number_reflns          826
_refine_ls_number_parameters      111
_refine_ls_number_restraints      12
_refine_ls_R_factor_all           0.0820
_refine_ls_R_factor_gt            0.0658
_refine_ls_wR_factor_ref          0.1718
_refine_ls_wR_factor_gt           0.1632
_refine_ls_goodness_of_fit_ref    1.046
_refine_ls_restrained_S_all       1.040
_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
As1 As 0.12958(12) 0.500000 -0.0155(3) 0.0101(8) Uani 0.82(3) 2 d S T P . .
V1 V 0.12958(12) 0.500000 -0.0155(3) 0.0101(8) Uani 0.18(3) 2 d S T P . .
As2 As 0.17901(16) 0.000000 0.6612(4) 0.0096(10) Uani 0.19(3) 2 d S T P . .
V2 V 0.17901(16) 0.000000 0.6612(4) 0.0096(10) Uani 0.81(3) 2 d S T P . .
Cu1 Cu 0.11909(11) 0.2577(3) 0.3537(2) 0.0121(5) Uani 1 1 d . . . . .
Cu2 Cu 0.32007(15) 0.500000 -0.0851(3) 0.0161(7) Uani 1 2 d S T P . .
Cu3 Cu 0.04829(17) 0.500000 -0.3692(4) 0.0616(16) Uani 1 2 d S T P . .
Cu4 Cu 0.21825(14) 0.500000 -0.3664(3) 0.0193(7) Uani 1 2 d S T P . .
O1 O 0.0577(7) 0.500000 0.3980(16) 0.010(3) Uani 1 2 d S TU P . .
O2 O 0.1762(7) 0.000000 0.3204(15) 0.008(3) Uani 1 2 d S T P . .
O3 O 0.1387(6) 0.2421(15) 0.5952(12) 0.011(2) Uani 1 1 d . . . . .
O4 O 0.0531(9) 0.500000 -0.137(2) 0.041(6) Uani 1 2 d S T P . .
O5 O 0.2310(7) 0.500000 0.4002(16) 0.011(3) Uani 1 2 d S TU P . .
O6 O 0.2058(8) 0.500000 -0.1316(17) 0.016(3) Uani 1 2 d S T P . .
O7 O 0.3161(9) 0.500000 0.141(2) 0.020(3) Uani 1 2 d S T P . .
O8 O 0.1269(8) 0.2849(17) 0.1100(14) 0.022(3) Uani 1 1 d . . . . .
Cl1 Cl -0.0009(5) 0.000000 0.734(3) 0.142(9) Uani 1 2 d S T P . .
M1 Cu 0.000000 0.214(2) 1.000000 0.070(3) Uani 0.5 2 d S T P . .
 
 
_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
As1 O8 1.694(11) 6_565 ?
As1 O8 1.694(11) . ?
As1 O6 1.686(14) . ?
As1 O4 1.699(18) . ?
As1 M1 2.949(8) 1_554 ?
As1 M1 2.949(8) 5_566 ?
As1 Cu3 3.253(4) . ?
As1 Cu4 3.323(3) . ?
As1 Cu2 3.3467(13) 7_565 ?
As1 Cu2 3.3467(13) 7 ?
As1 Cu1 3.405(3) 6_565 ?
As1 Cu1 3.405(3) . ?
As2 O7 1.636(17) 7_556 ?
As2 O5 1.711(13) 7_556 ?
As2 O3 1.759(10) . ?
As2 O3 1.759(10) 6 ?
As2 Cu4 3.076(4) 7 ?
As2 Cu1 3.182(3) 6 ?
As2 Cu1 3.182(3) . ?
As2 Cu4 3.2028(10) 1_556 ?
As2 Cu4 3.2028(10) 1_546 ?
As2 Cu2 3.495(4) 7_556 ?
Cu1 O1 1.911(8) . ?
Cu1 O2 1.930(7) . ?
Cu1 O3 2.021(11) . ?
Cu1 O8 2.023(12) . ?
Cu1 O5 2.550(11) . ?
Cu1 Cl1 2.764(11) 5_556 ?
Cu1 Cu2 2.957(3) 7 ?
Cu1 Cu1 3.018(4) 6_565 ?
Cu1 Cu3 3.033(3) 1_556 ?
Cu1 Cu1 3.210(4) 6 ?
Cu2 O7 1.863(17) . ?
Cu2 O2 1.943(13) 7 ?
Cu2 O8 2.029(10) 4 ?
Cu2 O8 2.029(10) 7 ?
Cu2 O6 2.099(15) . ?
Cu2 Cu4 2.947(4) . ?
Cu3 O4 1.918(17) . ?
Cu3 O1 1.930(14) 5_565 ?
Cu3 O1 1.929(13) 1_554 ?
Cu3 O3 2.313(10) 6_564 ?
Cu3 O3 2.313(10) 1_554 ?
Cu3 Cu3 2.762(7) 5_564 ?
Cu3 Cu4 3.074(4) . ?
Cu3 Cl1 3.352(5) 1_564 ?
Cu4 O5 1.940(13) 1_554 ?
Cu4 O2 1.943(14) 7 ?
Cu4 O6 1.952(14) . ?
Cu4 O3 2.178(10) 1_554 ?
Cu4 O3 2.178(10) 6_564 ?
O4 M1 2.322(14) 5_566 ?
O4 M1 2.322(14) 1_554 ?
O8 M1 2.500(14) 1_554 ?
Cl1 M1 2.56(2) 5_557 ?
Cl1 M1 2.56(2) . ?
M1 M1 2.66(3) 5_557 ?
M1 M1 3.57(3) 5_567 ?
 
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
O8 As1 O8 104.5(8) 6_565 . ?
O8 As1 O6 112.0(5) 6_565 . ?
O8 As1 O6 112.0(5) . . ?
O8 As1 O4 109.4(6) 6_565 . ?
O8 As1 O4 109.4(6) . . ?
O6 As1 O4 109.4(7) . . ?
O8 As1 M1 115.1(4) 6_565 1_554 ?
O8 As1 M1 57.9(5) . 1_554 ?
O6 As1 M1 132.8(3) . 1_554 ?
O4 As1 M1 51.9(4) . 1_554 ?
O8 As1 M1 57.9(5) 6_565 5_566 ?
O8 As1 M1 115.1(4) . 5_566 ?
O6 As1 M1 132.8(3) . 5_566 ?
O4 As1 M1 51.9(4) . 5_566 ?
M1 As1 M1 74.4(4) 1_554 5_566 ?
O8 As1 Cu3 122.2(5) 6_565 . ?
O8 As1 Cu3 122.2(5) . . ?
O6 As1 Cu3 81.7(5) . . ?
O4 As1 Cu3 27.7(5) . . ?
M1 As1 Cu3 71.74(8) 1_554 . ?
M1 As1 Cu3 71.74(8) 5_566 . ?
O8 As1 Cu4 123.3(4) 6_565 . ?
O8 As1 Cu4 123.3(4) . . ?
O6 As1 Cu4 26.0(5) . . ?
O4 As1 Cu4 83.4(5) . . ?
M1 As1 Cu4 115.39(10) 1_554 . ?
M1 As1 Cu4 115.39(10) 5_566 . ?
Cu3 As1 Cu4 55.73(8) . . ?
O8 As1 Cu2 28.6(4) 6_565 7_565 ?
O8 As1 Cu2 126.4(4) . 7_565 ?
O6 As1 Cu2 85.34(19) . 7_565 ?
O4 As1 Cu2 111.34(6) . 7_565 ?
M1 As1 Cu2 140.0(2) 1_554 7_565 ?
M1 As1 Cu2 69.0(2) 5_566 7_565 ?
Cu3 As1 Cu2 109.98(6) . 7_565 ?
Cu4 As1 Cu2 94.78(6) . 7_565 ?
O8 As1 Cu2 126.4(4) 6_565 7 ?
O8 As1 Cu2 28.6(4) . 7 ?
O6 As1 Cu2 85.34(19) . 7 ?
O4 As1 Cu2 111.34(6) . 7 ?
M1 As1 Cu2 69.0(2) 1_554 7 ?
M1 As1 Cu2 140.0(2) 5_566 7 ?
Cu3 As1 Cu2 109.97(6) . 7 ?
Cu4 As1 Cu2 94.78(6) . 7 ?
Cu2 As1 Cu2 137.03(11) 7_565 7 ?
O8 As1 Cu1 26.0(4) 6_565 6_565 ?
O8 As1 Cu1 78.6(4) . 6_565 ?
O6 As1 Cu1 124.1(4) . 6_565 ?
O4 As1 Cu1 118.3(5) . 6_565 ?
M1 As1 Cu1 100.22(11) 1_554 6_565 ?
M1 As1 Cu1 69.00(8) 5_566 6_565 ?
Cu3 As1 Cu1 140.61(7) . 6_565 ?
Cu4 As1 Cu1 144.14(6) . 6_565 ?
Cu2 As1 Cu1 51.94(5) 7_565 6_565 ?
Cu2 As1 Cu1 102.02(8) 7 6_565 ?
O8 As1 Cu1 78.6(4) 6_565 . ?
O8 As1 Cu1 26.0(4) . . ?
O6 As1 Cu1 124.1(4) . . ?
O4 As1 Cu1 118.3(5) . . ?
M1 As1 Cu1 69.00(8) 1_554 . ?
M1 As1 Cu1 100.22(11) 5_566 . ?
Cu3 As1 Cu1 140.61(7) . . ?
Cu4 As1 Cu1 144.14(6) . . ?
Cu2 As1 Cu1 102.02(8) 7_565 . ?
Cu2 As1 Cu1 51.94(5) 7 . ?
Cu1 As1 Cu1 52.61(7) 6_565 . ?
O7 As2 O5 104.7(8) 7_556 7_556 ?
O7 As2 O3 109.1(4) 7_556 . ?
O5 As2 O3 107.5(4) 7_556 . ?
O7 As2 O3 109.1(4) 7_556 6 ?
O5 As2 O3 107.5(4) 7_556 6 ?
O3 As2 O3 118.0(7) . 6 ?
O7 As2 Cu4 139.7(6) 7_556 7 ?
O5 As2 Cu4 35.0(4) 7_556 7 ?
O3 As2 Cu4 90.4(3) . 7 ?
O3 As2 Cu4 90.4(3) 6 7 ?
O7 As2 Cu1 144.2(3) 7_556 6 ?
O5 As2 Cu1 94.7(4) 7_556 6 ?
O3 As2 Cu1 92.8(3) . 6 ?
O3 As2 Cu1 35.3(3) 6 6 ?
Cu4 As2 Cu1 64.76(7) 7 6 ?
O7 As2 Cu1 144.2(3) 7_556 . ?
O5 As2 Cu1 94.7(4) 7_556 . ?
O3 As2 Cu1 35.3(3) . . ?
O3 As2 Cu1 92.8(3) 6 . ?
Cu4 As2 Cu1 64.77(7) 7 . ?
Cu1 As2 Cu1 60.59(9) 6 . ?
O7 As2 Cu4 93.53(16) 7_556 1_556 ?
O5 As2 Cu4 76.50(7) 7_556 1_556 ?
O3 As2 Cu4 40.2(3) . 1_556 ?
O3 As2 Cu4 154.6(4) 6 1_556 ?
Cu4 As2 Cu4 78.90(7) 7 1_556 ?
Cu1 As2 Cu4 120.51(10) 6 1_556 ?
Cu1 As2 Cu4 61.75(7) . 1_556 ?
O7 As2 Cu4 93.53(16) 7_556 1_546 ?
O5 As2 Cu4 76.50(7) 7_556 1_546 ?
O3 As2 Cu4 154.6(4) . 1_546 ?
O3 As2 Cu4 40.2(3) 6 1_546 ?
Cu4 As2 Cu4 78.90(7) 7 1_546 ?
Cu1 As2 Cu4 61.75(7) 6 1_546 ?
Cu1 As2 Cu4 120.51(10) . 1_546 ?
Cu4 As2 Cu4 152.99(14) 1_556 1_546 ?
O7 As2 Cu2 2.8(6) 7_556 7_556 ?
O5 As2 Cu2 107.6(5) 7_556 7_556 ?
O3 As2 Cu2 107.9(3) . 7_556 ?
O3 As2 Cu2 107.9(3) 6 7_556 ?
Cu4 As2 Cu2 142.55(11) 7 7_556 ?
Cu1 As2 Cu2 142.66(7) 6 7_556 ?
Cu1 As2 Cu2 142.66(7) . 7_556 ?
Cu4 As2 Cu2 94.16(7) 1_556 7_556 ?
Cu4 As2 Cu2 94.16(7) 1_546 7_556 ?
O1 Cu1 O2 175.4(4) . . ?
O1 Cu1 O3 86.9(5) . . ?
O2 Cu1 O3 90.7(5) . . ?
O1 Cu1 O8 99.8(5) . . ?
O2 Cu1 O8 83.4(5) . . ?
O3 Cu1 O8 165.7(5) . . ?
O1 Cu1 O5 88.0(4) . . ?
O2 Cu1 O5 95.1(4) . . ?
O3 Cu1 O5 75.5(4) . . ?
O8 Cu1 O5 92.1(5) . . ?
O1 Cu1 Cl1 93.4(4) . 5_556 ?
O2 Cu1 Cl1 83.9(4) . 5_556 ?
O3 Cu1 Cl1 111.0(5) . 5_556 ?
O8 Cu1 Cl1 81.4(6) . 5_556 ?
O5 Cu1 Cl1 173.4(5) . 5_556 ?
O1 Cu1 Cu2 142.5(4) . 7 ?
O2 Cu1 Cu2 40.4(4) . 7 ?
O3 Cu1 Cu2 130.5(3) . 7 ?
O8 Cu1 Cu2 43.2(3) . 7 ?
O5 Cu1 Cu2 97.6(3) . 7 ?
Cl1 Cu1 Cu2 77.3(3) 5_556 7 ?
O1 Cu1 Cu1 37.8(3) . 6_565 ?
O2 Cu1 Cu1 146.3(3) . 6_565 ?
O3 Cu1 Cu1 92.8(3) . 6_565 ?
O8 Cu1 Cu1 85.2(3) . 6_565 ?
O5 Cu1 Cu1 53.72(18) . 6_565 ?
Cl1 Cu1 Cu1 125.50(16) 5_556 6_565 ?
Cu2 Cu1 Cu1 122.87(4) 7 6_565 ?
O1 Cu1 Cu3 38.0(4) . 1_556 ?
O2 Cu1 Cu3 138.7(4) . 1_556 ?
O3 Cu1 Cu3 49.7(3) . 1_556 ?
O8 Cu1 Cu3 137.8(3) . 1_556 ?
O5 Cu1 Cu3 86.2(3) . 1_556 ?
Cl1 Cu1 Cu3 98.9(3) 5_556 1_556 ?
Cu2 Cu1 Cu3 176.12(10) 7 1_556 ?
Cu1 Cu1 Cu3 60.17(4) 6_565 1_556 ?
O1 Cu1 As2 116.1(4) . . ?
O2 Cu1 As2 61.0(4) . . ?
O3 Cu1 As2 30.2(3) . . ?
O8 Cu1 As2 143.8(3) . . ?
O5 Cu1 As2 85.1(3) . . ?
Cl1 Cu1 As2 99.9(4) 5_556 . ?
Cu2 Cu1 As2 101.35(7) 7 . ?
Cu1 Cu1 As2 120.29(4) 6_565 . ?
Cu3 Cu1 As2 78.08(7) 1_556 . ?
O1 Cu1 Cu1 142.2(3) . 6 ?
O2 Cu1 Cu1 33.7(3) . 6 ?
O3 Cu1 Cu1 87.2(3) . 6 ?
O8 Cu1 Cu1 94.8(3) . 6 ?
O5 Cu1 Cu1 126.28(18) . 6 ?
Cl1 Cu1 Cu1 54.50(16) 5_556 6 ?
Cu2 Cu1 Cu1 57.13(4) 7 6 ?
Cu1 Cu1 Cu1 180.0 6_565 6 ?
Cu3 Cu1 Cu1 119.84(4) 1_556 6 ?
As2 Cu1 Cu1 59.71(4) . 6 ?
O7 Cu2 O2 179.8(7) . 7 ?
O7 Cu2 O8 97.1(4) . 4 ?
O2 Cu2 O8 83.0(4) 7 4 ?
O7 Cu2 O8 97.1(4) . 7 ?
O2 Cu2 O8 83.0(4) 7 7 ?
O8 Cu2 O8 122.1(8) 4 7 ?
O7 Cu2 O6 97.7(6) . . ?
O2 Cu2 O6 82.1(5) 7 . ?
O8 Cu2 O6 116.6(4) 4 . ?
O8 Cu2 O6 116.6(4) 7 . ?
O7 Cu2 Cu4 139.1(6) . . ?
O2 Cu2 Cu4 40.7(4) 7 . ?
O8 Cu2 Cu4 102.3(4) 4 . ?
O8 Cu2 Cu4 102.3(4) 7 . ?
O6 Cu2 Cu4 41.4(4) . . ?
O7 Cu2 Cu1 140.0(3) . 7 ?
O2 Cu2 Cu1 40.1(2) 7 7 ?
O8 Cu2 Cu1 102.7(3) 4 7 ?
O8 Cu2 Cu1 43.1(3) 7 7 ?
O6 Cu2 Cu1 103.7(3) . 7 ?
Cu4 Cu2 Cu1 69.20(7) . 7 ?
O7 Cu2 Cu1 140.0(3) . 4 ?
O2 Cu2 Cu1 40.1(2) 7 4 ?
O8 Cu2 Cu1 43.1(3) 4 4 ?
O8 Cu2 Cu1 102.7(3) 7 4 ?
O6 Cu2 Cu1 103.7(3) . 4 ?
Cu4 Cu2 Cu1 69.20(7) . 4 ?
Cu1 Cu2 Cu1 65.75(9) 7 4 ?
O7 Cu2 As1 76.44(17) . 7_565 ?
O2 Cu2 As1 103.61(13) 7 7_565 ?
O8 Cu2 As1 23.6(3) 4 7_565 ?
O8 Cu2 As1 135.4(4) 7 7_565 ?
O6 Cu2 As1 108.08(9) . 7_565 ?
Cu4 Cu2 As1 111.19(6) . 7_565 ?
Cu1 Cu2 As1 126.04(9) 7 7_565 ?
Cu1 Cu2 As1 65.05(5) 4 7_565 ?
O7 Cu2 As1 76.44(17) . 7 ?
O2 Cu2 As1 103.61(13) 7 7 ?
O8 Cu2 As1 135.4(4) 4 7 ?
O8 Cu2 As1 23.6(3) 7 7 ?
O6 Cu2 As1 108.08(9) . 7 ?
Cu4 Cu2 As1 111.19(6) . 7 ?
Cu1 Cu2 As1 65.05(5) 7 7 ?
Cu1 Cu2 As1 126.04(9) 4 7 ?
As1 Cu2 As1 137.03(11) 7_565 7 ?
O7 Cu2 As2 2.5(5) . 7_556 ?
O2 Cu2 As2 177.7(4) 7 7_556 ?
O8 Cu2 As2 96.0(3) 4 7_556 ?
O8 Cu2 As2 96.0(3) 7 7_556 ?
O6 Cu2 As2 100.2(4) . 7_556 ?
Cu4 Cu2 As2 141.59(11) . 7_556 ?
Cu1 Cu2 As2 138.69(7) 7 7_556 ?
Cu1 Cu2 As2 138.69(7) 4 7_556 ?
As1 Cu2 As2 75.74(6) 7_565 7_556 ?
As1 Cu2 As2 75.74(6) 7 7_556 ?
O7 Cu2 As1 77.8(5) . . ?
O2 Cu2 As1 102.0(4) 7 . ?
O8 Cu2 As1 118.9(4) 4 . ?
O8 Cu2 As1 118.9(4) 7 . ?
O6 Cu2 As1 20.0(4) . . ?
Cu4 Cu2 As1 61.36(8) . . ?
Cu1 Cu2 As1 119.85(9) 7 . ?
Cu1 Cu2 As1 119.85(9) 4 . ?
As1 Cu2 As1 103.02(6) 7_565 . ?
As1 Cu2 As1 103.02(6) 7 . ?
As2 Cu2 As1 80.23(8) 7_556 . ?
O4 Cu3 O1 99.1(6) . 5_565 ?
O4 Cu3 O1 172.4(7) . 1_554 ?
O1 Cu3 O1 88.6(5) 5_565 1_554 ?
O4 Cu3 O3 95.9(5) . 6_564 ?
O1 Cu3 O3 133.4(3) 5_565 6_564 ?
O1 Cu3 O3 78.7(4) 1_554 6_564 ?
O4 Cu3 O3 95.9(5) . 1_554 ?
O1 Cu3 O3 133.4(3) 5_565 1_554 ?
O1 Cu3 O3 78.7(4) 1_554 1_554 ?
O3 Cu3 O3 88.0(5) 6_564 1_554 ?
O4 Cu3 Cu3 143.3(6) . 5_564 ?
O1 Cu3 Cu3 44.3(4) 5_565 5_564 ?
O1 Cu3 Cu3 44.3(4) 1_554 5_564 ?
O3 Cu3 Cu3 110.1(3) 6_564 5_564 ?
O3 Cu3 Cu3 110.1(3) 1_554 5_564 ?
O4 Cu3 Cu1 137.6(4) . 1_554 ?
O1 Cu3 Cu1 109.5(4) 5_565 1_554 ?
O1 Cu3 Cu1 37.6(2) 1_554 1_554 ?
O3 Cu3 Cu1 86.9(3) 6_564 1_554 ?
O3 Cu3 Cu1 41.8(3) 1_554 1_554 ?
Cu3 Cu3 Cu1 71.34(11) 5_564 1_554 ?
O4 Cu3 Cu1 137.6(4) . 6_564 ?
O1 Cu3 Cu1 109.5(4) 5_565 6_564 ?
O1 Cu3 Cu1 37.6(2) 1_554 6_564 ?
O3 Cu3 Cu1 41.8(3) 6_564 6_564 ?
O3 Cu3 Cu1 86.9(3) 1_554 6_564 ?
Cu3 Cu3 Cu1 71.34(11) 5_564 6_564 ?
Cu1 Cu3 Cu1 59.67(9) 1_554 6_564 ?
O4 Cu3 Cu4 87.6(5) . . ?
O1 Cu3 Cu4 173.3(4) 5_565 . ?
O1 Cu3 Cu4 84.8(4) 1_554 . ?
O3 Cu3 Cu4 45.0(3) 6_564 . ?
O3 Cu3 Cu4 45.0(3) 1_554 . ?
Cu3 Cu3 Cu4 129.06(17) 5_564 . ?
Cu1 Cu3 Cu4 64.88(9) 1_554 . ?
Cu1 Cu3 Cu4 64.88(9) 6_564 . ?
O4 Cu3 As1 24.3(5) . . ?
O1 Cu3 As1 123.4(4) 5_565 . ?
O1 Cu3 As1 148.1(4) 1_554 . ?
O3 Cu3 As1 78.5(3) 6_564 . ?
O3 Cu3 As1 78.5(3) 1_554 . ?
Cu3 Cu3 As1 167.64(18) 5_564 . ?
Cu1 Cu3 As1 119.02(10) 1_554 . ?
Cu1 Cu3 As1 119.02(10) 6_564 . ?
Cu4 Cu3 As1 63.30(9) . . ?
O4 Cu3 Cl1 75.8(4) . 1_564 ?
O1 Cu3 Cl1 76.4(2) 5_565 1_564 ?
O1 Cu3 Cl1 106.3(4) 1_554 1_564 ?
O3 Cu3 Cl1 65.0(3) 6_564 1_564 ?
O3 Cu3 Cl1 150.2(3) 1_554 1_564 ?
Cu3 Cu3 Cl1 91.8(3) 5_564 1_564 ?
Cu1 Cu3 Cl1 140.3(3) 1_554 1_564 ?
Cu1 Cu3 Cl1 81.1(3) 6_564 1_564 ?
Cu4 Cu3 Cl1 105.46(16) . 1_564 ?
As1 Cu3 Cl1 83.7(4) . 1_564 ?
O5 Cu4 O2 93.9(5) 1_554 7 ?
O5 Cu4 O6 179.8(6) 1_554 . ?
O2 Cu4 O6 86.0(6) 7 . ?
O5 Cu4 O3 86.6(4) 1_554 1_554 ?
O2 Cu4 O3 132.5(3) 7 1_554 ?
O6 Cu4 O3 93.5(4) . 1_554 ?
O5 Cu4 O3 86.6(4) 1_554 6_564 ?
O2 Cu4 O3 132.5(3) 7 6_564 ?
O6 Cu4 O3 93.5(4) . 6_564 ?
O3 Cu4 O3 95.0(5) 1_554 6_564 ?
O5 Cu4 Cu2 134.5(4) 1_554 . ?
O2 Cu4 Cu2 40.7(4) 7 . ?
O6 Cu4 Cu2 45.3(4) . . ?
O3 Cu4 Cu2 121.4(3) 1_554 . ?
O3 Cu4 Cu2 121.4(3) 6_564 . ?
O5 Cu4 Cu3 97.0(4) 1_554 . ?
O2 Cu4 Cu3 169.2(4) 7 . ?
O6 Cu4 Cu3 83.2(4) . . ?
O3 Cu4 Cu3 48.7(3) 1_554 . ?
O3 Cu4 Cu3 48.7(3) 6_564 . ?
Cu2 Cu4 Cu3 128.50(12) . . ?
O5 Cu4 As2 30.4(4) 1_554 7 ?
O2 Cu4 As2 63.5(4) 7 7 ?
O6 Cu4 As2 149.5(5) . 7 ?
O3 Cu4 As2 106.8(3) 1_554 7 ?
O3 Cu4 As2 106.8(3) 6_564 7 ?
Cu2 Cu4 As2 104.14(10) . 7 ?
Cu3 Cu4 As2 127.35(12) . 7 ?
O5 Cu4 As2 95.70(11) 1_554 1_554 ?
O2 Cu4 As2 101.78(9) 7 1_554 ?
O6 Cu4 As2 84.34(12) . 1_554 ?
O3 Cu4 As2 31.4(3) 1_554 1_554 ?
O3 Cu4 As2 125.5(3) 6_564 1_554 ?
Cu2 Cu4 As2 94.65(8) . 1_554 ?
Cu3 Cu4 As2 77.18(7) . 1_554 ?
As2 Cu4 As2 101.10(7) 7 1_554 ?
O5 Cu4 As2 95.70(11) 1_554 1_564 ?
O2 Cu4 As2 101.78(9) 7 1_564 ?
O6 Cu4 As2 84.34(12) . 1_564 ?
O3 Cu4 As2 125.5(3) 1_554 1_564 ?
O3 Cu4 As2 31.4(3) 6_564 1_564 ?
Cu2 Cu4 As2 94.65(8) . 1_564 ?
Cu3 Cu4 As2 77.18(7) . 1_564 ?
As2 Cu4 As2 101.10(7) 7 1_564 ?
As2 Cu4 As2 152.99(14) 1_554 1_564 ?
O5 Cu4 Cu1 51.0(3) 1_554 1_554 ?
O2 Cu4 Cu1 131.9(3) 7 1_554 ?
O6 Cu4 Cu1 129.1(4) . 1_554 ?
O3 Cu4 Cu1 37.0(3) 1_554 1_554 ?
O3 Cu4 Cu1 83.2(3) 6_564 1_554 ?
Cu2 Cu4 Cu1 152.57(4) . 1_554 ?
Cu3 Cu4 Cu1 56.95(7) . 1_554 ?
As2 Cu4 Cu1 76.95(8) 7 1_554 ?
As2 Cu4 Cu1 58.81(7) 1_554 1_554 ?
As2 Cu4 Cu1 112.20(10) 1_564 1_554 ?
O5 Cu4 Cu1 51.0(3) 1_554 6_564 ?
O2 Cu4 Cu1 131.9(3) 7 6_564 ?
O6 Cu4 Cu1 129.1(4) . 6_564 ?
O3 Cu4 Cu1 83.2(3) 1_554 6_564 ?
O3 Cu4 Cu1 37.0(3) 6_564 6_564 ?
Cu2 Cu4 Cu1 152.57(4) . 6_564 ?
Cu3 Cu4 Cu1 56.95(7) . 6_564 ?
As2 Cu4 Cu1 76.95(8) 7 6_564 ?
As2 Cu4 Cu1 112.20(10) 1_554 6_564 ?
As2 Cu4 Cu1 58.81(7) 1_564 6_564 ?
Cu1 Cu4 Cu1 54.85(8) 1_554 6_564 ?
Cu1 O1 Cu1 104.3(6) . 6_565 ?
Cu1 O1 Cu3 123.7(4) . 5_565 ?
Cu1 O1 Cu3 123.7(4) 6_565 5_565 ?
Cu1 O1 Cu3 104.4(5) . 1_556 ?
Cu1 O1 Cu3 104.4(5) 6_565 1_556 ?
Cu3 O1 Cu3 91.4(5) 5_565 1_556 ?
Cu1 O2 Cu1 112.6(6) 6 . ?
Cu1 O2 Cu2 99.6(5) 6 7 ?
Cu1 O2 Cu2 99.6(5) . 7 ?
Cu1 O2 Cu4 119.9(4) 6 7 ?
Cu1 O2 Cu4 119.9(4) . 7 ?
Cu2 O2 Cu4 98.6(5) 7 7 ?
As2 O3 Cu1 114.5(5) . . ?
As2 O3 Cu4 108.4(5) . 1_556 ?
Cu1 O3 Cu4 102.5(4) . 1_556 ?
As2 O3 Cu3 147.9(6) . 1_556 ?
Cu1 O3 Cu3 88.6(4) . 1_556 ?
Cu4 O3 Cu3 86.4(3) 1_556 1_556 ?
As1 O4 Cu3 128.0(9) . . ?
As1 O4 M1 93.0(6) . 5_566 ?
Cu3 O4 M1 118.1(6) . 5_566 ?
As1 O4 M1 93.0(6) . 1_554 ?
Cu3 O4 M1 118.1(6) . 1_554 ?
M1 O4 M1 100.3(7) 5_566 1_554 ?
As2 O5 Cu4 114.6(7) 7_556 1_556 ?
As2 O5 Cu1 135.4(4) 7_556 6_565 ?
Cu4 O5 Cu1 92.7(4) 1_556 6_565 ?
As2 O5 Cu1 135.4(4) 7_556 . ?
Cu4 O5 Cu1 92.7(4) 1_556 . ?
Cu1 O5 Cu1 72.6(4) 6_565 . ?
As1 O6 Cu4 131.8(9) . . ?
As1 O6 Cu2 134.9(8) . . ?
Cu4 O6 Cu2 93.3(6) . . ?
As2 O7 Cu2 174.7(12) 7_556 . ?
As1 O8 Cu1 132.5(6) . . ?
As1 O8 Cu2 127.9(6) . 7 ?
Cu1 O8 Cu2 93.7(5) . 7 ?
As1 O8 M1 87.1(6) . 1_554 ?
Cu1 O8 M1 105.8(5) . 1_554 ?
Cu2 O8 M1 104.0(6) 7 1_554 ?
M1 Cl1 M1 62.6(7) 5_557 . ?
M1 Cl1 Cu1 85.5(3) 5_557 5_556 ?
M1 Cl1 Cu1 121.6(5) . 5_556 ?
M1 Cl1 Cu1 121.6(5) 5_557 2_556 ?
M1 Cl1 Cu1 85.5(3) . 2_556 ?
Cu1 Cl1 Cu1 71.0(3) 5_556 2_556 ?
M1 Cl1 Cu3 134.5(7) 5_557 1_556 ?
M1 Cl1 Cu3 74.7(3) . 1_556 ?
Cu1 Cl1 Cu3 132.8(6) 5_556 1_556 ?
Cu1 Cl1 Cu3 66.44(17) 2_556 1_556 ?
M1 Cl1 Cu3 74.7(3) 5_557 1_546 ?
M1 Cl1 Cu3 134.5(7) . 1_546 ?
Cu1 Cl1 Cu3 66.44(17) 5_556 1_546 ?
Cu1 Cl1 Cu3 132.8(6) 2_556 1_546 ?
Cu3 Cl1 Cu3 136.6(4) 1_556 1_546 ?
O4 M1 O4 79.7(7) 5_566 1_556 ?
O4 M1 O8 94.0(6) 5_566 1_556 ?
O4 M1 O8 70.0(5) 1_556 1_556 ?
O4 M1 O8 70.0(5) 5_566 2_556 ?
O4 M1 O8 94.0(6) 1_556 2_556 ?
O8 M1 O8 159.6(7) 1_556 2_556 ?
O4 M1 Cl1 144.5(6) 5_566 . ?
O4 M1 Cl1 89.0(4) 1_556 . ?
O8 M1 Cl1 113.6(3) 1_556 . ?
O8 M1 Cl1 77.5(3) 2_556 . ?
O4 M1 Cl1 89.0(4) 5_566 5_557 ?
O4 M1 Cl1 144.5(6) 1_556 5_557 ?
O8 M1 Cl1 77.5(3) 1_556 5_557 ?
O8 M1 Cl1 113.6(4) 2_556 5_557 ?
Cl1 M1 Cl1 117.4(7) . 5_557 ?
O4 M1 M1 140.1(4) 5_566 5_557 ?
O4 M1 M1 140.1(4) 1_556 5_557 ?
O8 M1 M1 100.2(4) 1_556 5_557 ?
O8 M1 M1 100.2(4) 2_556 5_557 ?
Cl1 M1 M1 58.7(4) . 5_557 ?
Cl1 M1 M1 58.7(4) 5_557 5_557 ?
O4 M1 As1 83.7(5) 5_566 1_556 ?
O4 M1 As1 35.1(5) 1_556 1_556 ?
O8 M1 As1 35.0(3) 1_556 1_556 ?
O8 M1 As1 127.2(5) 2_556 1_556 ?
Cl1 M1 As1 105.98(17) . 1_556 ?
Cl1 M1 As1 110.7(3) 5_557 1_556 ?
M1 M1 As1 127.2(2) 5_557 1_556 ?
O4 M1 As1 35.1(5) 5_566 5_566 ?
O4 M1 As1 83.7(5) 1_556 5_566 ?
O8 M1 As1 127.2(5) 1_556 5_566 ?
O8 M1 As1 35.0(3) 2_556 5_566 ?
Cl1 M1 As1 110.7(3) . 5_566 ?
Cl1 M1 As1 105.98(17) 5_557 5_566 ?
M1 M1 As1 127.2(2) 5_557 5_566 ?
As1 M1 As1 105.6(4) 1_556 5_566 ?
O4 M1 M1 39.9(4) 5_566 5_567 ?
O4 M1 M1 39.9(4) 1_556 5_567 ?
O8 M1 M1 79.8(4) 1_556 5_567 ?
O8 M1 M1 79.8(4) 2_556 5_567 ?
Cl1 M1 M1 121.3(4) . 5_567 ?
Cl1 M1 M1 121.3(4) 5_557 5_567 ?
M1 M1 M1 180.0 5_557 5_567 ?
As1 M1 M1 52.8(2) 1_556 5_567 ?
As1 M1 M1 52.8(2) 5_566 5_567 ?
O4 M1 Cu2 90.1(4) 5_566 3_446 ?
O4 M1 Cu2 124.7(5) 1_556 3_446 ?
O8 M1 Cu2 165.3(4) 1_556 3_446 ?
O8 M1 Cu2 33.4(3) 2_556 3_446 ?
Cl1 M1 Cu2 69.0(2) . 3_446 ?
Cl1 M1 Cu2 88.4(3) 5_557 3_446 ?
M1 M1 Cu2 68.16(19) 5_557 3_446 ?
As1 M1 Cu2 159.7(3) 1_556 3_446 ?
As1 M1 Cu2 60.77(4) 5_566 3_446 ?
M1 M1 Cu2 111.84(19) 5_567 3_446 ?
O4 M1 Cu2 124.7(5) 5_566 7_556 ?
O4 M1 Cu2 90.1(4) 1_556 7_556 ?
O8 M1 Cu2 33.4(3) 1_556 7_556 ?
O8 M1 Cu2 165.3(4) 2_556 7_556 ?
Cl1 M1 Cu2 88.4(3) . 7_556 ?
Cl1 M1 Cu2 69.0(2) 5_557 7_556 ?
M1 M1 Cu2 68.16(19) 5_557 7_556 ?
As1 M1 Cu2 60.77(4) 1_556 7_556 ?
As1 M1 Cu2 159.7(3) 5_566 7_556 ?
M1 M1 Cu2 111.84(19) 5_567 7_556 ?
Cu2 M1 Cu2 136.3(4) 3_446 7_556 ?
 
loop_
 _geom_torsion_atom_site_label_1
 _geom_torsion_atom_site_label_2
 _geom_torsion_atom_site_label_3
 _geom_torsion_atom_site_label_4
 _geom_torsion
 _geom_torsion_site_symmetry_1
 _geom_torsion_site_symmetry_2
 _geom_torsion_site_symmetry_3
 _geom_torsion_site_symmetry_4
 _geom_torsion_publ_flag
O7 As2 O3 Cu1 -174.3(7) 7_556 . . . ?
O5 As2 O3 Cu1 72.6(7) 7_556 . . . ?
O3 As2 O3 Cu1 -49.1(9) 6 . . . ?
Cu4 As2 O3 Cu1 41.6(5) 7 . . . ?
Cu1 As2 O3 Cu1 -23.1(5) 6 . . . ?
Cu4 As2 O3 Cu1 113.7(7) 1_556 . . . ?
Cu4 As2 O3 Cu1 -22.7(12) 1_546 . . . ?
Cu2 As2 O3 Cu1 -171.6(4) 7_556 . . . ?
O7 As2 O3 Cu4 72.0(8) 7_556 . . 1_556 ?
O5 As2 O3 Cu4 -41.1(7) 7_556 . . 1_556 ?
O3 As2 O3 Cu4 -162.8(3) 6 . . 1_556 ?
Cu4 As2 O3 Cu4 -72.1(4) 7 . . 1_556 ?
Cu1 As2 O3 Cu4 -136.9(4) 6 . . 1_556 ?
Cu1 As2 O3 Cu4 -113.7(7) . . . 1_556 ?
Cu4 As2 O3 Cu4 -136.5(6) 1_546 . . 1_556 ?
Cu2 As2 O3 Cu4 74.7(4) 7_556 . . 1_556 ?
O7 As2 O3 Cu3 -41.9(13) 7_556 . . 1_556 ?
O5 As2 O3 Cu3 -155.0(10) 7_556 . . 1_556 ?
O3 As2 O3 Cu3 83.3(12) 6 . . 1_556 ?
Cu4 As2 O3 Cu3 174.0(10) 7 . . 1_556 ?
Cu1 As2 O3 Cu3 109.2(10) 6 . . 1_556 ?
Cu1 As2 O3 Cu3 132.4(14) . . . 1_556 ?
Cu4 As2 O3 Cu3 -113.9(12) 1_556 . . 1_556 ?
Cu4 As2 O3 Cu3 109.6(11) 1_546 . . 1_556 ?
Cu2 As2 O3 Cu3 -39.2(11) 7_556 . . 1_556 ?
O8 As1 O4 Cu3 123.0(4) 6_565 . . . ?
O8 As1 O4 Cu3 -123.0(4) . . . . ?
O6 As1 O4 Cu3 0.000(1) . . . . ?
M1 As1 O4 Cu3 -129.8(4) 1_554 . . . ?
M1 As1 O4 Cu3 129.8(4) 5_566 . . . ?
Cu4 As1 O4 Cu3 0.000(1) . . . . ?
Cu2 As1 O4 Cu3 92.6(2) 7_565 . . . ?
Cu2 As1 O4 Cu3 -92.6(2) 7 . . . ?
Cu1 As1 O4 Cu3 149.79(15) 6_565 . . . ?
Cu1 As1 O4 Cu3 -149.79(15) . . . . ?
O8 As1 O4 M1 -6.7(6) 6_565 . . 5_566 ?
O8 As1 O4 M1 107.2(5) . . . 5_566 ?
O6 As1 O4 M1 -129.8(4) . . . 5_566 ?
M1 As1 O4 M1 100.5(7) 1_554 . . 5_566 ?
Cu3 As1 O4 M1 -129.8(4) . . . 5_566 ?
Cu4 As1 O4 M1 -129.8(4) . . . 5_566 ?
Cu2 As1 O4 M1 -37.2(6) 7_565 . . 5_566 ?
Cu2 As1 O4 M1 137.7(2) 7 . . 5_566 ?
Cu1 As1 O4 M1 20.0(5) 6_565 . . 5_566 ?
Cu1 As1 O4 M1 80.4(3) . . . 5_566 ?
O8 As1 O4 M1 -107.2(5) 6_565 . . 1_554 ?
O8 As1 O4 M1 6.7(6) . . . 1_554 ?
O6 As1 O4 M1 129.8(4) . . . 1_554 ?
M1 As1 O4 M1 -100.5(7) 5_566 . . 1_554 ?
Cu3 As1 O4 M1 129.8(4) . . . 1_554 ?
Cu4 As1 O4 M1 129.8(4) . . . 1_554 ?
Cu2 As1 O4 M1 -137.7(2) 7_565 . . 1_554 ?
Cu2 As1 O4 M1 37.2(6) 7 . . 1_554 ?
Cu1 As1 O4 M1 -80.4(3) 6_565 . . 1_554 ?
Cu1 As1 O4 M1 -20.0(5) . . . 1_554 ?
O8 As1 O6 Cu4 -121.4(5) 6_565 . . . ?
O8 As1 O6 Cu4 121.4(5) . . . . ?
O4 As1 O6 Cu4 0.000(0) . . . . ?
M1 As1 O6 Cu4 55.5(5) 1_554 . . . ?
M1 As1 O6 Cu4 -55.5(5) 5_566 . . . ?
Cu3 As1 O6 Cu4 0.000(1) . . . . ?
Cu2 As1 O6 Cu4 -110.99(6) 7_565 . . . ?
Cu2 As1 O6 Cu4 110.99(6) 7 . . . ?
Cu1 As1 O6 Cu4 -147.6(2) 6_565 . . . ?
Cu1 As1 O6 Cu4 147.6(2) . . . . ?
O8 As1 O6 Cu2 58.6(5) 6_565 . . . ?
O8 As1 O6 Cu2 -58.6(5) . . . . ?
O4 As1 O6 Cu2 180.0 . . . . ?
M1 As1 O6 Cu2 -124.5(5) 1_554 . . . ?
M1 As1 O6 Cu2 124.5(5) 5_566 . . . ?
Cu3 As1 O6 Cu2 180.000(0) . . . . ?
Cu4 As1 O6 Cu2 180.000(1) . . . . ?
Cu2 As1 O6 Cu2 69.01(6) 7_565 . . . ?
Cu2 As1 O6 Cu2 -69.01(6) 7 . . . ?
Cu1 As1 O6 Cu2 32.4(2) 6_565 . . . ?
Cu1 As1 O6 Cu2 -32.4(2) . . . . ?
O8 As1 O8 Cu1 1.9(16) 6_565 . . . ?
O6 As1 O8 Cu1 123.4(10) . . . . ?
O4 As1 O8 Cu1 -115.1(11) . . . . ?
M1 As1 O8 Cu1 -108.9(11) 1_554 . . . ?
M1 As1 O8 Cu1 -59.1(11) 5_566 . . . ?
Cu3 As1 O8 Cu1 -142.5(8) . . . . ?
Cu4 As1 O8 Cu1 150.0(7) . . . . ?
Cu2 As1 O8 Cu1 22.5(13) 7_565 . . . ?
Cu2 As1 O8 Cu1 145.6(18) 7 . . . ?
Cu1 As1 O8 Cu1 1.0(9) 6_565 . . . ?
O8 As1 O8 Cu2 -143.7(4) 6_565 . . 7 ?
O6 As1 O8 Cu2 -22.2(11) . . . 7 ?
O4 As1 O8 Cu2 99.3(10) . . . 7 ?
M1 As1 O8 Cu2 105.5(10) 1_554 . . 7 ?
M1 As1 O8 Cu2 155.3(7) 5_566 . . 7 ?
Cu3 As1 O8 Cu2 71.9(10) . . . 7 ?
Cu4 As1 O8 Cu2 4.4(12) . . . 7 ?
Cu2 As1 O8 Cu2 -123.1(7) 7_565 . . 7 ?
Cu1 As1 O8 Cu2 -144.6(10) 6_565 . . 7 ?
Cu1 As1 O8 Cu2 -145.6(18) . . . 7 ?
O8 As1 O8 M1 110.8(6) 6_565 . . 1_554 ?
O6 As1 O8 M1 -127.7(5) . . . 1_554 ?
O4 As1 O8 M1 -6.2(6) . . . 1_554 ?
M1 As1 O8 M1 49.8(5) 5_566 . . 1_554 ?
Cu3 As1 O8 M1 -33.6(5) . . . 1_554 ?
Cu4 As1 O8 M1 -101.1(4) . . . 1_554 ?
Cu2 As1 O8 M1 131.4(3) 7_565 . . 1_554 ?
Cu2 As1 O8 M1 -105.5(10) 7 . . 1_554 ?
Cu1 As1 O8 M1 109.9(3) 6_565 . . 1_554 ?
Cu1 As1 O8 M1 108.9(11) . . . 1_554 ?
 
_refine_diff_density_max    3.388
_refine_diff_density_min   -1.908
_refine_diff_density_rms    0.360



