# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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
_audit_block_doi                 10.25505/fiz.icsd.cc2h1vcs
_database_code_depnum_ccdc_archive 'CCDC 2295685'
loop_
_audit_author_name
_audit_author_address
'Qiuyuan Feng'
;Xinjiang Normal University
China
;
_audit_update_record             
;
2023-09-18 deposited with the CCDC.	2023-10-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'K4 O19 Se2 V4 Zn3'
_chemical_formula_weight         1018.19

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'
K K 0.2009 0.2494 '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'
Zn Zn 0.2839 1.4301 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C2/c  '

loop_
_symmetry_equiv_pos_as_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                   18.5182(8)
_cell_length_b                   8.8243(3)
_cell_length_c                   12.7708(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 98.443(2)
_cell_angle_gamma                90.00
_cell_volume                     2064.26(15)
_cell_formula_units_Z            4
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    5176
_cell_measurement_theta_min      2.56
_cell_measurement_theta_max      27.39

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.276
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1912
_exptl_absorpt_coefficient_mu    9.576
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.2271
_exptl_absorpt_correction_T_max  0.3276
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      273(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            17803
_diffrn_reflns_av_R_equivalents  0.0662
_diffrn_reflns_av_sigmaI/netI    0.0346
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.22
_diffrn_reflns_theta_max         27.50
_reflns_number_total             2377
_reflns_number_gt                2061
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0178P)²+20.1608P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.00052(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         2377
_refine_ls_number_parameters     157
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0365
_refine_ls_R_factor_gt           0.0299
_refine_ls_wR_factor_ref         0.0716
_refine_ls_wR_factor_gt          0.0662
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_restrained_S_all      1.070
_refine_ls_shift/su_max          0.001
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
K1 K 0.42926(5) 0.67476(11) 0.41970(8) 0.0224(2) Uani 1 1 d . . .
K2 K 0.27358(6) 1.31520(13) 0.27750(10) 0.0307(3) Uani 1 1 d . . .
Zn1 Zn 0.91486(3) 0.53385(6) 0.65800(4) 0.01709(14) Uani 1 1 d . . .
Zn2 Zn 0.5000 0.33488(8) 0.2500 0.01941(18) Uani 1 2 d S . .
V1 V 0.61203(4) 0.58860(8) 0.38071(6) 0.01685(17) Uani 1 1 d . . .
V2A V 0.75626(9) 0.4032(2) 0.52614(15) 0.0174(3) Uani 0.50 1 d P . .
V2B V 0.76240(9) 0.4644(2) 0.49378(15) 0.0158(3) Uani 0.50 1 d P . .
Se1 Se 0.43864(2) 1.09229(5) 0.38961(3) 0.01555(13) Uani 1 1 d . . .
O1 O 0.53105(16) 1.1127(4) 0.4164(3) 0.0206(7) Uani 1 1 d . . .
O2 O 0.58197(19) 0.7635(4) 0.4035(3) 0.0253(7) Uani 1 1 d . . .
O3 O 0.43348(19) 0.9370(3) 0.3108(3) 0.0225(7) Uani 1 1 d . . .
O4 O 0.41670(18) 1.2321(4) 0.2987(3) 0.0243(7) Uani 1 1 d . . .
O5 O 0.53868(19) 0.4713(4) 0.3665(3) 0.0267(7) Uani 1 1 d . . .
O6 O 0.67451(18) 0.5172(4) 0.4975(3) 0.0259(7) Uani 1 1 d . . .
O7 O 0.81016(17) 0.4752(4) 0.6232(3) 0.0262(7) Uani 1 1 d . . .
O8 O 0.6534(2) 0.5857(4) 0.2755(3) 0.0314(8) Uani 1 1 d . . .
O9A O 0.7745(5) 0.2811(10) 0.4350(7) 0.025 Uani 0.38 1 d P . .
O9B O 0.7951(4) 0.5830(8) 0.4177(6) 0.066(2) Uani 0.75 1 d P . .
O9C O 0.7977(5) 0.3815(10) 0.4238(7) 0.025 Uani 0.38 1 d 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
K1 O3 2.707(3) . ?
K1 O1 2.826(3) 5_676 ?
K1 O8 2.839(4) 2_655 ?
K1 O5 2.863(4) . ?
K1 O6 2.877(4) 5_666 ?
K1 O2 2.970(4) . ?
K1 O5 2.998(4) 5_666 ?
K1 O9A 3.049(9) 3_455 ?
K1 O9C 3.050(9) 3_455 ?
K1 V1 3.5742(13) . ?
K1 V1 3.6131(13) 5_666 ?
K1 V2A 3.668(2) 5_666 ?
K2 O9B 2.712(7) 3_455 ?
K2 O4 2.725(3) . ?
K2 O9A 2.745(9) 2_665 ?
K2 O9C 2.775(9) 2_665 ?
K2 O7 2.830(4) 5_676 ?
K2 O8 2.872(4) 2_665 ?
K2 O8 3.006(4) 3_455 ?
K2 O6 3.250(4) 5_676 ?
K2 O7 3.362(4) 8_465 ?
K2 V2A 3.630(2) 5_676 ?
K2 V2B 3.651(2) 5_676 ?
K2 V2B 3.674(2) 2_665 ?
Zn1 O3 1.949(3) 8_566 ?
Zn1 O2 1.958(3) 7_666 ?
Zn1 O1 1.964(3) 7_666 ?
Zn1 O7 1.993(3) . ?
Zn1 K2 3.9337(12) 5_676 ?
Zn1 K1 4.0950(11) 7_666 ?
Zn2 O5 1.965(3) . ?
Zn2 O5 1.965(3) 2_655 ?
Zn2 O4 1.967(3) 1_545 ?
Zn2 O4 1.967(3) 2_645 ?
Zn2 K1 4.0301(12) 2_655 ?
V1 O8 1.642(4) . ?
V1 O2 1.680(3) . ?
V1 O5 1.696(3) . ?
V1 O6 1.858(3) . ?
V1 K1 3.6131(13) 5_666 ?
V1 K1 3.8756(13) 2_655 ?
V1 K2 3.9557(14) 2_645 ?
V1 K2 3.9804(14) 3_545 ?
V2A V2B 0.6991(19) . ?
V2A O7 1.604(4) . ?
V2A O9C 1.621(9) . ?
V2A O9A 1.657(9) . ?
V2A O6 1.809(4) . ?
V2A O9A 1.817(10) 7_656 ?
V2A O9B 2.290(7) . ?
V2A V2A 2.787(4) 7_656 ?
V2A K2 3.630(2) 5_676 ?
V2A K1 3.668(2) 5_666 ?
V2A K2 3.718(2) 8_566 ?
V2A K2 3.914(2) 2_645 ?
V2B O9C 1.390(9) . ?
V2B O9B 1.605(7) . ?
V2B O6 1.700(4) . ?
V2B O7 1.759(4) . ?
V2B O9A 1.811(9) . ?
V2B K2 3.651(2) 5_676 ?
V2B K2 3.674(2) 2_645 ?
V2B K1 4.059(2) 5_666 ?
Se1 O3 1.694(3) . ?
Se1 O4 1.702(3) . ?
Se1 O1 1.705(3) . ?
Se1 K1 3.7934(11) 5_676 ?
O1 Zn1 1.964(3) 7_666 ?
O1 K1 2.826(3) 5_676 ?
O2 Zn1 1.958(3) 7_666 ?
O3 Zn1 1.949(3) 8_465 ?
O4 Zn2 1.967(3) 1_565 ?
O5 K1 2.998(4) 5_666 ?
O6 K1 2.877(4) 5_666 ?
O6 K2 3.250(4) 5_676 ?
O7 K2 2.830(4) 5_676 ?
O7 K2 3.362(4) 8_566 ?
O8 K1 2.839(4) 2_655 ?
O8 K2 2.872(4) 2_645 ?
O8 K2 3.006(4) 3_545 ?
O9A O9C 1.004(12) . ?
O9A V2A 1.817(10) 7_656 ?
O9A K2 2.745(9) 2_645 ?
O9A K1 3.049(9) 3_545 ?
O9B O9C 1.781(12) . ?
O9B K2 2.712(7) 3_545 ?
O9C K2 2.775(9) 2_645 ?
O9C K1 3.050(9) 3_545 ?

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 K1 O1 77.83(10) . 5_676 ?
O3 K1 O8 80.68(10) . 2_655 ?
O1 K1 O8 151.93(11) 5_676 2_655 ?
O3 K1 O5 109.85(11) . . ?
O1 K1 O5 118.41(10) 5_676 . ?
O8 K1 O5 85.83(11) 2_655 . ?
O3 K1 O6 139.76(10) . 5_666 ?
O1 K1 O6 103.49(10) 5_676 5_666 ?
O8 K1 O6 81.76(10) 2_655 5_666 ?
O5 K1 O6 104.61(10) . 5_666 ?
O3 K1 O2 68.86(10) . . ?
O1 K1 O2 74.34(9) 5_676 . ?
O8 K1 O2 114.09(10) 2_655 . ?
O5 K1 O2 55.57(9) . . ?
O6 K1 O2 151.02(10) 5_666 . ?
O3 K1 O5 144.92(10) . 5_666 ?
O1 K1 O5 67.39(9) 5_676 5_666 ?
O8 K1 O5 133.62(10) 2_655 5_666 ?
O5 K1 O5 83.92(11) . 5_666 ?
O6 K1 O5 57.71(10) 5_666 5_666 ?
O2 K1 O5 96.51(10) . 5_666 ?
O3 K1 O9A 82.41(19) . 3_455 ?
O1 K1 O9A 83.86(19) 5_676 3_455 ?
O8 K1 O9A 75.54(19) 2_655 3_455 ?
O5 K1 O9A 155.91(19) . 3_455 ?
O6 K1 O9A 58.18(19) 5_666 3_455 ?
O2 K1 O9A 146.80(19) . 3_455 ?
O5 K1 O9A 97.84(19) 5_666 3_455 ?
O3 K1 O9C 65.22(19) . 3_455 ?
O1 K1 O9C 73.25(19) 5_676 3_455 ?
O8 K1 O9C 81.46(19) 2_655 3_455 ?
O5 K1 O9C 166.95(19) . 3_455 ?
O6 K1 O9C 76.55(19) 5_666 3_455 ?
O2 K1 O9C 127.92(19) . 3_455 ?
O5 K1 O9C 107.05(18) 5_666 3_455 ?
O9A K1 O9C 18.9(2) 3_455 3_455 ?
O3 K1 V1 90.63(8) . . ?
O1 K1 V1 95.50(7) 5_676 . ?
O8 K1 V1 102.62(8) 2_655 . ?
O5 K1 V1 27.86(7) . . ?
O6 K1 V1 128.55(7) 5_666 . ?
O2 K1 V1 27.84(6) . . ?
O5 K1 V1 88.31(7) 5_666 . ?
O9A K1 V1 173.00(18) 3_455 . ?
O9C K1 V1 154.77(18) 3_455 . ?
O3 K1 V1 159.61(8) . 5_666 ?
O1 K1 V1 87.89(7) 5_676 5_666 ?
O8 K1 V1 107.38(8) 2_655 5_666 ?
O5 K1 V1 89.68(8) . 5_666 ?
O6 K1 V1 30.68(7) 5_666 5_666 ?
O2 K1 V1 121.39(7) . 5_666 ?
O5 K1 V1 27.79(7) 5_666 5_666 ?
O9A K1 V1 81.64(18) 3_455 5_666 ?
O9C K1 V1 96.91(18) 3_455 5_666 ?
V1 K1 V1 105.32(3) . 5_666 ?
O3 K1 V2A 110.84(9) . 5_666 ?
O1 K1 V2A 97.68(7) 5_676 5_666 ?
O8 K1 V2A 73.39(8) 2_655 5_666 ?
O5 K1 V2A 129.96(8) . 5_666 ?
O6 K1 V2A 29.02(7) 5_666 5_666 ?
O2 K1 V2A 171.97(8) . 5_666 ?
O5 K1 V2A 79.24(8) 5_666 5_666 ?
O9A K1 V2A 29.59(18) 3_455 5_666 ?
O9C K1 V2A 48.42(19) 3_455 5_666 ?
V1 K1 V2A 156.73(5) . 5_666 ?
V1 K1 V2A 56.30(4) 5_666 5_666 ?
O9B K2 O4 71.64(16) 3_455 . ?
O9B K2 O9A 124.4(3) 3_455 2_665 ?
O4 K2 O9A 103.8(2) . 2_665 ?
O9B K2 O9C 140.8(3) 3_455 2_665 ?
O4 K2 O9C 118.2(2) . 2_665 ?
O9A K2 O9C 20.9(2) 2_665 2_665 ?
O9B K2 O7 103.57(18) 3_455 5_676 ?
O4 K2 O7 136.08(11) . 5_676 ?
O9A K2 O7 113.3(2) 2_665 5_676 ?
O9C K2 O7 93.4(2) 2_665 5_676 ?
O9B K2 O8 139.03(17) 3_455 2_665 ?
O4 K2 O8 76.26(11) . 2_665 ?
O9A K2 O8 87.3(2) 2_665 2_665 ?
O9C K2 O8 77.5(2) 2_665 2_665 ?
O7 K2 O8 82.55(11) 5_676 2_665 ?
O9B K2 O8 62.17(16) 3_455 3_455 ?
O4 K2 O8 121.84(10) . 3_455 ?
O9A K2 O8 77.63(19) 2_665 3_455 ?
O9C K2 O8 83.29(19) 2_665 3_455 ?
O7 K2 O8 89.46(10) 5_676 3_455 ?
O8 K2 O8 158.61(8) 2_665 3_455 ?
O9B K2 O6 76.36(18) 3_455 5_676 ?
O4 K2 O6 82.97(10) . 5_676 ?
O9A K2 O6 159.2(2) 2_665 5_676 ?
O9C K2 O6 139.7(2) 2_665 5_676 ?
O7 K2 O6 54.31(9) 5_676 5_676 ?
O8 K2 O6 75.04(10) 2_665 5_676 ?
O8 K2 O6 115.89(10) 3_455 5_676 ?
O9B K2 O7 77.80(18) 3_455 8_465 ?
O4 K2 O7 64.93(9) . 8_465 ?
O9A K2 O7 53.2(2) 2_665 8_465 ?
O9C K2 O7 74.2(2) 2_665 8_465 ?
O7 K2 O7 158.68(6) 5_676 8_465 ?
O8 K2 O7 110.67(10) 2_665 8_465 ?
O8 K2 O7 72.18(9) 3_455 8_465 ?
O6 K2 O7 143.76(9) 5_676 8_465 ?
O9B K2 V2A 94.78(18) 3_455 5_676 ?
O4 K2 V2A 111.11(9) . 5_676 ?
O9A K2 V2A 134.2(2) 2_665 5_676 ?
O9C K2 V2A 113.3(2) 2_665 5_676 ?
O7 K2 V2A 25.06(7) 5_676 5_676 ?
O8 K2 V2A 73.66(8) 2_665 5_676 ?
O8 K2 V2A 106.23(8) 3_455 5_676 ?
O6 K2 V2A 29.85(6) 5_676 5_676 ?
O7 K2 V2A 172.33(8) 8_465 5_676 ?
O9B K2 V2B 84.28(18) 3_455 5_676 ?
O4 K2 V2B 110.68(9) . 5_676 ?
O9A K2 V2B 141.1(2) 2_665 5_676 ?
O9C K2 V2B 120.7(2) 2_665 5_676 ?
O7 K2 V2B 28.00(7) 5_676 5_676 ?
O8 K2 V2B 83.88(8) 2_665 5_676 ?
O8 K2 V2B 98.27(8) 3_455 5_676 ?
O6 K2 V2B 27.75(6) 5_676 5_676 ?
O7 K2 V2B 162.03(8) 8_465 5_676 ?
V2A K2 V2B 11.02(3) 5_676 5_676 ?
O9B K2 V2B 151.89(18) 3_455 2_665 ?
O4 K2 V2B 103.24(8) . 2_665 ?
O9A K2 V2B 28.32(19) 2_665 2_665 ?
O9C K2 V2B 19.11(18) 2_665 2_665 ?
O7 K2 V2B 98.80(8) 5_676 2_665 ?
O8 K2 V2B 60.43(8) 2_665 2_665 ?
O8 K2 V2B 101.65(8) 3_455 2_665 ?
O6 K2 V2B 131.29(8) 5_676 2_665 ?
O7 K2 V2B 75.20(7) 8_465 2_665 ?
V2A K2 V2B 112.41(4) 5_676 2_665 ?
V2B K2 V2B 122.30(4) 5_676 2_665 ?
O3 Zn1 O2 105.66(14) 8_566 7_666 ?
O3 Zn1 O1 122.92(14) 8_566 7_666 ?
O2 Zn1 O1 111.12(14) 7_666 7_666 ?
O3 Zn1 O7 106.32(15) 8_566 . ?
O2 Zn1 O7 103.49(15) 7_666 . ?
O1 Zn1 O7 105.64(14) 7_666 . ?
O3 Zn1 K2 77.14(10) 8_566 5_676 ?
O2 Zn1 K2 81.63(10) 7_666 5_676 ?
O1 Zn1 K2 148.79(9) 7_666 5_676 ?
O7 Zn1 K2 43.17(10) . 5_676 ?
O3 Zn1 K1 97.61(10) 8_566 7_666 ?
O2 Zn1 K1 42.73(10) 7_666 7_666 ?
O1 Zn1 K1 82.46(10) 7_666 7_666 ?
O7 Zn1 K1 143.73(11) . 7_666 ?
K2 Zn1 K1 121.11(3) 5_676 7_666 ?
O5 Zn2 O5 104.5(2) . 2_655 ?
O5 Zn2 O4 104.98(15) . 1_545 ?
O5 Zn2 O4 107.81(14) 2_655 1_545 ?
O5 Zn2 O4 107.81(14) . 2_645 ?
O5 Zn2 O4 104.98(15) 2_655 2_645 ?
O4 Zn2 O4 125.10(19) 1_545 2_645 ?
O5 Zn2 K1 80.81(10) . 2_655 ?
O5 Zn2 K1 41.26(11) 2_655 2_655 ?
O4 Zn2 K1 147.65(9) 1_545 2_655 ?
O4 Zn2 K1 80.87(10) 2_645 2_655 ?
O5 Zn2 K1 41.26(11) . . ?
O5 Zn2 K1 80.81(10) 2_655 . ?
O4 Zn2 K1 80.87(10) 1_545 . ?
O4 Zn2 K1 147.65(9) 2_645 . ?
K1 Zn2 K1 83.82(3) 2_655 . ?
O8 V1 O2 111.25(18) . . ?
O8 V1 O5 111.47(18) . . ?
O2 V1 O5 107.37(17) . . ?
O8 V1 O6 109.91(17) . . ?
O2 V1 O6 110.84(16) . . ?
O5 V1 O6 105.85(16) . . ?
O8 V1 K1 133.07(14) . . ?
O2 V1 K1 55.66(12) . . ?
O5 V1 K1 52.05(12) . . ?
O6 V1 K1 116.82(11) . . ?
O8 V1 K1 137.71(13) . 5_666 ?
O2 V1 K1 111.02(12) . 5_666 ?
O5 V1 K1 55.51(12) . 5_666 ?
O6 V1 K1 52.20(11) . 5_666 ?
K1 V1 K1 74.68(3) . 5_666 ?
O8 V1 K1 40.64(13) . 2_655 ?
O2 V1 K1 88.23(12) . 2_655 ?
O5 V1 K1 88.60(12) . 2_655 ?
O6 V1 K1 150.46(11) . 2_655 ?
K1 V1 K1 92.46(3) . 2_655 ?
K1 V1 K1 142.48(3) 5_666 2_655 ?
O8 V1 K2 39.02(13) . 2_645 ?
O2 V1 K2 149.82(13) . 2_645 ?
O5 V1 K2 93.07(12) . 2_645 ?
O6 V1 K2 83.45(11) . 2_645 ?
K1 V1 K2 142.18(3) . 2_645 ?
K1 V1 K2 98.78(3) 5_666 2_645 ?
K1 V1 K2 69.92(3) 2_655 2_645 ?
O8 V1 K2 43.35(14) . 3_545 ?
O2 V1 K2 83.12(12) . 3_545 ?
O5 V1 K2 154.19(12) . 3_545 ?
O6 V1 K2 91.51(11) . 3_545 ?
K1 V1 K2 135.43(3) . 3_545 ?
K1 V1 K2 143.51(3) 5_666 3_545 ?
K1 V1 K2 67.81(3) 2_655 3_545 ?
K2 V1 K2 69.656(14) 2_645 3_545 ?
V2B V2A O7 90.8(3) . . ?
V2B V2A O9C 58.5(4) . . ?
O7 V2A O9C 110.8(4) . . ?
V2B V2A O9A 91.1(4) . . ?
O7 V2A O9A 129.2(4) . . ?
O9C V2A O9A 35.6(4) . . ?
V2B V2A O6 69.8(2) . . ?
O7 V2A O6 110.09(19) . . ?
O9C V2A O6 112.6(4) . . ?
O9A V2A O6 118.0(3) . . ?
V2B V2A O9A 159.7(4) . 7_656 ?
O7 V2A O9A 109.1(3) . 7_656 ?
O9C V2A O9A 108.6(4) . 7_656 ?
O9A V2A O9A 73.4(5) . 7_656 ?
O6 V2A O9A 105.5(3) . 7_656 ?
V2B V2A O9B 9.9(3) . . ?
O7 V2A O9B 88.7(2) . . ?
O9C V2A O9B 50.7(4) . . ?
O9A V2A O9B 84.9(4) . . ?
O6 V2A O9B 79.6(2) . . ?
O9A V2A O9B 157.6(4) 7_656 . ?
V2B V2A V2A 128.5(3) . 7_656 ?
O7 V2A V2A 126.15(18) . 7_656 ?
O9C V2A V2A 74.0(3) . 7_656 ?
O9A V2A V2A 38.7(3) . 7_656 ?
O6 V2A V2A 116.94(16) . 7_656 ?
O9A V2A V2A 34.7(3) 7_656 7_656 ?
O9B V2A V2A 123.4(2) . 7_656 ?
V2B V2A K2 86.2(2) . 5_676 ?
O7 V2A K2 48.36(13) . 5_676 ?
O9C V2A K2 140.9(4) . 5_676 ?
O9A V2A K2 176.3(3) . 5_676 ?
O6 V2A K2 63.37(12) . 5_676 ?
O9A V2A K2 109.8(3) 7_656 5_676 ?
O9B V2A K2 92.1(2) . 5_676 ?
V2A V2A K2 144.49(12) 7_656 5_676 ?
V2B V2A K1 119.6(2) . 5_666 ?
O7 V2A K1 114.99(15) . 5_666 ?
O9C V2A K1 134.2(3) . 5_666 ?
O9A V2A K1 107.7(3) . 5_666 ?
O6 V2A K1 50.46(12) . 5_666 ?
O9A V2A K1 56.0(3) 7_656 5_666 ?
O9B V2A K1 129.04(19) . 5_666 ?
V2A V2A K1 79.39(8) 7_656 5_666 ?
K2 V2A K1 75.90(4) 5_676 5_666 ?
V2B V2A K2 155.5(2) . 8_566 ?
O7 V2A K2 64.73(15) . 8_566 ?
O9C V2A K2 130.1(3) . 8_566 ?
O9A V2A K2 105.6(3) . 8_566 ?
O6 V2A K2 115.24(14) . 8_566 ?
O9A V2A K2 44.8(3) 7_656 8_566 ?
O9B V2A K2 152.4(2) . 8_566 ?
V2A V2A K2 72.38(9) 7_656 8_566 ?
K2 V2A K2 76.17(4) 5_676 8_566 ?
K1 V2A K2 72.80(5) 5_666 8_566 ?
V2B V2A K2 65.1(2) . 2_645 ?
O7 V2A K2 145.64(16) . 2_645 ?
O9C V2A K2 36.2(3) . 2_645 ?
O9A V2A K2 35.8(3) . 2_645 ?
O6 V2A K2 85.27(13) . 2_645 ?
O9A V2A K2 95.1(3) 7_656 2_645 ?
O9B V2A K2 63.2(2) . 2_645 ?
V2A V2A K2 64.87(7) 7_656 2_645 ?
K2 V2A K2 143.78(6) 5_676 2_645 ?
K1 V2A K2 98.61(4) 5_666 2_645 ?
K2 V2A K2 137.26(6) 8_566 2_645 ?
V2A V2B O9C 96.1(5) . . ?
V2A V2B O9B 165.8(4) . . ?
O9C V2B O9B 72.5(5) . . ?
V2A V2B O6 87.5(3) . . ?
O9C V2B O6 134.8(4) . . ?
O9B V2B O6 106.6(3) . . ?
V2A V2B O7 65.8(2) . . ?
O9C V2B O7 114.4(4) . . ?
O9B V2B O7 110.5(3) . . ?
O6 V2B O7 108.09(19) . . ?
V2A V2B O9A 66.2(4) . . ?
O9C V2B O9A 33.4(4) . . ?
O9B V2B O9A 104.5(4) . . ?
O6 V2B O9A 115.7(3) . . ?
O7 V2B O9A 111.3(3) . . ?
V2A V2B K2 82.7(2) . 5_676 ?
O9C V2B K2 162.3(4) . 5_676 ?
O9B V2B K2 105.4(3) . 5_676 ?
O6 V2B K2 62.87(13) . 5_676 ?
O7 V2B K2 49.08(12) . 5_676 ?
O9A V2B K2 148.8(3) . 5_676 ?
V2A V2B K2 105.0(2) . 2_645 ?
O9C V2B K2 40.8(4) . 2_645 ?
O9B V2B K2 72.3(3) . 2_645 ?
O6 V2B K2 94.72(14) . 2_645 ?
O7 V2B K2 154.42(14) . 2_645 ?
O9A V2B K2 46.0(3) . 2_645 ?
K2 V2B K2 156.35(6) 5_676 2_645 ?
V2A V2B K1 51.8(2) . 5_666 ?
O9C V2B K1 121.9(4) . 5_666 ?
O9B V2B K1 141.6(3) . 5_666 ?
O6 V2B K1 36.53(13) . 5_666 ?
O7 V2B K1 95.73(13) . 5_666 ?
O9A V2B K1 90.5(3) . 5_666 ?
K2 V2B K1 70.96(4) 5_676 5_666 ?
K2 V2B K1 95.94(4) 2_645 5_666 ?
O3 Se1 O4 101.19(16) . . ?
O3 Se1 O1 99.91(16) . . ?
O4 Se1 O1 101.07(16) . . ?
O3 Se1 K1 42.19(11) . . ?
O4 Se1 K1 141.27(12) . . ?
O1 Se1 K1 98.35(11) . . ?
O3 Se1 K2 103.09(12) . . ?
O4 Se1 K2 42.06(11) . . ?
O1 Se1 K2 139.58(11) . . ?
K1 Se1 K2 120.93(3) . . ?
O3 Se1 K1 142.59(12) . 5_676 ?
O4 Se1 K1 96.43(12) . 5_676 ?
O1 Se1 K1 43.96(11) . 5_676 ?
K1 Se1 K1 120.471(19) . 5_676 ?
K2 Se1 K1 112.00(3) . 5_676 ?
Se1 O1 Zn1 113.67(16) . 7_666 ?
Se1 O1 K1 111.28(14) . 5_676 ?
Zn1 O1 K1 134.39(14) 7_666 5_676 ?
V1 O2 Zn1 137.7(2) . 7_666 ?
V1 O2 K1 96.49(14) . . ?
Zn1 O2 K1 110.71(14) 7_666 . ?
Se1 O3 Zn1 118.31(17) . 8_465 ?
Se1 O3 K1 112.94(15) . . ?
Zn1 O3 K1 127.82(14) 8_465 . ?
Se1 O4 Zn2 115.47(17) . 1_565 ?
Se1 O4 K2 113.20(15) . . ?
Zn2 O4 K2 129.88(14) 1_565 . ?
V1 O5 Zn2 130.7(2) . . ?
V1 O5 K1 100.10(14) . . ?
Zn2 O5 K1 111.82(15) . . ?
V1 O5 K1 96.70(14) . 5_666 ?
Zn2 O5 K1 115.32(14) . 5_666 ?
K1 O5 K1 96.08(11) . 5_666 ?
V2B O6 V2A 22.70(7) . . ?
V2B O6 V1 123.8(2) . . ?
V2A O6 V1 139.0(2) . . ?
V2B O6 K1 122.87(17) . 5_666 ?
V2A O6 K1 100.52(15) . 5_666 ?
V1 O6 K1 97.12(13) . 5_666 ?
V2B O6 K2 89.37(15) . 5_676 ?
V2A O6 K2 86.78(14) . 5_676 ?
V1 O6 K2 128.59(15) . 5_676 ?
K1 O6 K2 93.99(10) 5_666 5_676 ?
V2A O7 V2B 23.42(8) . . ?
V2A O7 Zn1 138.6(2) . . ?
V2B O7 Zn1 124.2(2) . . ?
V2A O7 K2 106.58(16) . 5_676 ?
V2B O7 K2 102.92(15) . 5_676 ?
Zn1 O7 K2 108.02(14) . 5_676 ?
V2A O7 K2 89.71(16) . 8_566 ?
V2B O7 K2 113.12(16) . 8_566 ?
Zn1 O7 K2 109.89(13) . 8_566 ?
K2 O7 K2 93.71(10) 5_676 8_566 ?
V1 O8 K1 117.23(18) . 2_655 ?
V1 O8 K2 119.89(18) . 2_645 ?
K1 O8 K2 103.58(12) 2_655 2_645 ?
V1 O8 K2 114.62(18) . 3_545 ?
K1 O8 K2 97.13(11) 2_655 3_545 ?
K2 O8 K2 100.87(11) 2_645 3_545 ?
O9C O9A V2A 70.2(7) . . ?
O9C O9A V2B 49.7(6) . . ?
V2A O9A V2B 22.71(14) . . ?
O9C O9A V2A 170.7(10) . 7_656 ?
V2A O9A V2A 106.6(5) . 7_656 ?
V2B O9A V2A 128.6(5) . 7_656 ?
O9C O9A K2 81.2(8) . 2_645 ?
V2A O9A K2 123.6(4) . 2_645 ?
V2B O9A K2 105.7(4) . 2_645 ?
V2A O9A K2 107.4(4) 7_656 2_645 ?
O9C O9A K1 80.5(7) . 3_545 ?
V2A O9A K1 122.4(5) . 3_545 ?
V2B O9A K1 118.4(4) . 3_545 ?
V2A O9A K1 94.4(3) 7_656 3_545 ?
K2 O9A K1 98.2(3) 2_645 3_545 ?
V2B O9B O9C 48.1(3) . . ?
V2B O9B V2A 4.30(11) . . ?
O9C O9B V2A 44.8(3) . . ?
V2B O9B K2 149.4(4) . 3_545 ?
O9C O9B K2 141.6(5) . 3_545 ?
V2A O9B K2 153.4(3) . 3_545 ?
O9A O9C V2B 96.9(8) . . ?
O9A O9C V2A 74.1(7) . . ?
V2B O9C V2A 25.39(17) . . ?
O9A O9C O9B 151.3(9) . . ?
V2B O9C O9B 59.3(4) . . ?
V2A O9C O9B 84.5(5) . . ?
O9A O9C K2 77.9(8) . 2_645 ?
V2B O9C K2 120.1(5) . 2_645 ?
V2A O9C K2 123.7(5) . 2_645 ?
O9B O9C K2 99.4(5) . 2_645 ?
O9A O9C K1 80.5(7) . 3_545 ?
V2B O9C K1 141.1(5) . 3_545 ?
V2A O9C K1 124.0(4) . 3_545 ?
O9B O9C K1 127.9(5) . 3_545 ?
K2 O9C K1 97.5(3) 2_645 3_545 ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.729
_refine_diff_density_min         -0.791
_refine_diff_density_rms         0.150
####################################################################### 
# 
# 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_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2295686'
loop_
_audit_author_name
_audit_author_address
'Qiuyuan Feng'
;Xinjiang Normal University
China
;
_audit_update_record             
;
2023-09-18 deposited with the CCDC.	2023-10-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'K2 O12 Se4 Zn3'
_chemical_formula_weight         782.15

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P2(1)/c  '

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

_cell_length_a                   13.8874(4)
_cell_length_b                   6.9040(2)
_cell_length_c                   14.4472(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 95.5060(10)
_cell_angle_gamma                90.00
_cell_volume                     1378.79(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    9149
_cell_measurement_theta_min      2.95
_cell_measurement_theta_max      27.48

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.768
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1440
_exptl_absorpt_coefficient_mu    16.394
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1563
_exptl_absorpt_correction_T_max  0.2437
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      273(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            32395
_diffrn_reflns_av_R_equivalents  0.0698
_diffrn_reflns_av_sigmaI/netI    0.0309
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.47
_diffrn_reflns_theta_max         27.52
_reflns_number_total             3150
_reflns_number_gt                2829
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0589P)²+9.6000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0109(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         3150
_refine_ls_number_parameters     191
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0414
_refine_ls_R_factor_gt           0.0323
_refine_ls_wR_factor_ref         0.1165
_refine_ls_wR_factor_gt          0.0817
_refine_ls_goodness_of_fit_ref   1.165
_refine_ls_restrained_S_all      1.165
_refine_ls_shift/su_max          0.001
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
K1 K -0.00139(12) 1.1252(2) 0.16409(12) 0.0294(4) Uani 1 1 d . . .
K2 K 0.50570(12) 0.6640(2) 0.32889(12) 0.0294(4) Uani 1 1 d . . .
Zn1 Zn 0.25948(5) 0.89220(12) 0.26823(5) 0.0202(2) Uani 1 1 d . . .
Zn2 Zn 0.61410(6) 1.12775(12) 0.42142(5) 0.0210(2) Uani 1 1 d . . .
Zn3 Zn 0.10268(6) 0.66216(11) 0.07524(5) 0.0215(2) Uani 1 1 d . . .
Se1 Se 0.11906(5) 1.11133(10) 0.40229(4) 0.01860(19) Uani 1 1 d . . .
Se2 Se 0.61648(4) 0.67456(9) 0.09334(4) 0.01644(18) Uani 1 1 d . . .
Se3 Se 0.24582(5) 0.44587(9) 0.22538(4) 0.01923(19) Uani 1 1 d . . .
Se4 Se 0.74661(5) 0.50187(10) 0.44773(5) 0.02004(19) Uani 1 1 d . . .
O1 O 0.5928(4) 0.6223(7) -0.0198(3) 0.0239(10) Uani 1 1 d . . .
O2 O 0.6870(4) 0.5113(8) 0.3396(3) 0.0266(11) Uani 1 1 d . . .
O3 O 0.1476(4) 1.0463(9) 0.2966(3) 0.0322(12) Uani 1 1 d . . .
O4 O 0.5089(3) 0.7581(8) 0.1221(4) 0.0270(11) Uani 1 1 d . . .
O5 O 0.1787(4) 0.4376(8) 0.1225(4) 0.0313(12) Uani 1 1 d . . .
O6 O 0.0738(4) 0.9067(7) 0.4434(3) 0.0250(10) Uani 1 1 d . . .
O7 O 0.6255(4) 0.4543(7) 0.1447(4) 0.0260(11) Uani 1 1 d . . .
O8 O 0.3533(4) 0.5372(10) 0.2025(4) 0.0354(13) Uani 1 1 d . . .
O9 O 0.0172(4) 1.2336(8) 0.3683(4) 0.0321(12) Uani 1 1 d . . .
O10 O 0.7018(5) 0.2996(10) 0.4913(4) 0.0472(18) Uani 1 1 d . . .
O11 O 0.1974(4) 0.6395(8) 0.2752(4) 0.0360(13) Uani 1 1 d . . .
O12 O 0.8584(4) 0.4340(8) 0.4257(4) 0.0341(13) 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
K1 O6 2.627(5) 2 ?
K1 O3 2.735(5) . ?
K1 O9 2.749(6) 2_545 ?
K1 O12 2.804(6) 2_655 ?
K1 O11 2.941(6) 2 ?
K1 O9 3.031(6) . ?
K1 O5 3.400(6) 1_565 ?
K1 Se1 3.6804(18) . ?
K1 Zn3 3.7830(18) . ?
K1 Se1 3.8151(17) 2 ?
K1 Zn3 3.8932(18) 3_575 ?
K1 K1 4.250(2) 2 ?
K2 O2 2.720(5) . ?
K2 O7 2.760(5) 2_655 ?
K2 O8 2.799(6) . ?
K2 O1 2.812(5) 4_576 ?
K2 O4 2.903(5) 2_645 ?
K2 O4 3.062(6) . ?
K2 O8 3.293(7) 2_655 ?
K2 Zn2 3.7305(18) . ?
K2 Se4 3.7805(17) . ?
K2 Zn1 3.7903(17) . ?
K2 Zn2 3.8411(18) 2_645 ?
K2 Se2 3.8675(19) . ?
Zn1 O11 1.952(6) . ?
Zn1 O3 1.959(5) . ?
Zn1 O2 1.969(5) 2_655 ?
Zn1 O7 1.983(5) 2_655 ?
Zn2 O10 1.917(6) 1_565 ?
Zn2 O1 1.959(5) 4_576 ?
Zn2 O4 1.980(5) 2_655 ?
Zn2 O8 1.989(5) 2_655 ?
Zn2 K2 3.8411(18) 2_655 ?
Zn3 O12 1.954(6) 2_655 ?
Zn3 O5 1.961(5) . ?
Zn3 O6 1.966(5) 4_575 ?
Zn3 O9 1.985(5) 2_545 ?
Zn3 K1 3.8932(18) 3_575 ?
Se1 O3 1.675(5) . ?
Se1 O6 1.678(5) . ?
Se1 O9 1.680(5) . ?
Se1 K1 3.8151(17) 2_545 ?
Se2 O1 1.676(5) . ?
Se2 O4 1.690(5) . ?
Se2 O7 1.691(5) . ?
Se3 O5 1.678(5) . ?
Se3 O8 1.682(5) . ?
Se3 O11 1.688(6) . ?
Se4 O10 1.675(6) . ?
Se4 O12 1.681(5) . ?
Se4 O2 1.698(5) . ?
O1 Zn2 1.959(5) 4_575 ?
O1 K2 2.812(5) 4_575 ?
O2 Zn1 1.969(5) 2_645 ?
O4 Zn2 1.980(5) 2_645 ?
O4 K2 2.903(5) 2_655 ?
O5 K1 3.400(6) 1_545 ?
O6 Zn3 1.966(5) 4_576 ?
O6 K1 2.627(5) 2_545 ?
O7 Zn1 1.983(5) 2_645 ?
O7 K2 2.760(5) 2_645 ?
O8 Zn2 1.989(5) 2_645 ?
O8 K2 3.293(7) 2_645 ?
O9 Zn3 1.985(5) 2 ?
O9 K1 2.749(6) 2 ?
O10 Zn2 1.917(6) 1_545 ?
O11 K1 2.941(6) 2_545 ?
O12 Zn3 1.954(6) 2_645 ?
O12 K1 2.804(6) 2_645 ?

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
O6 K1 O3 141.45(19) 2 . ?
O6 K1 O9 127.37(18) 2 2_545 ?
O3 K1 O9 88.06(19) . 2_545 ?
O6 K1 O12 108.82(18) 2 2_655 ?
O3 K1 O12 73.05(17) . 2_655 ?
O9 K1 O12 60.45(16) 2_545 2_655 ?
O6 K1 O11 80.71(16) 2 2 ?
O3 K1 O11 117.23(17) . 2 ?
O9 K1 O11 91.32(16) 2_545 2 ?
O12 K1 O11 150.56(18) 2_655 2 ?
O6 K1 O9 112.64(15) 2 . ?
O3 K1 O9 51.66(14) . . ?
O9 K1 O9 114.00(17) 2_545 . ?
O12 K1 O9 124.65(17) 2_655 . ?
O11 K1 O9 72.31(17) 2 . ?
O6 K1 O5 70.88(15) 2 1_565 ?
O3 K1 O5 74.35(16) . 1_565 ?
O9 K1 O5 129.93(15) 2_545 1_565 ?
O12 K1 O5 69.58(15) 2_655 1_565 ?
O11 K1 O5 138.51(15) 2 1_565 ?
O9 K1 O5 91.15(14) . 1_565 ?
O6 K1 Se1 133.31(12) 2 . ?
O3 K1 Se1 25.17(11) . . ?
O9 K1 Se1 98.95(14) 2_545 . ?
O12 K1 Se1 98.15(14) 2_655 . ?
O11 K1 Se1 94.17(13) 2 . ?
O9 K1 Se1 26.82(9) . . ?
O5 K1 Se1 84.59(9) 1_565 . ?
O6 K1 Zn3 124.16(12) 2 . ?
O3 K1 Zn3 77.37(13) . . ?
O9 K1 Zn3 30.46(11) 2_545 . ?
O12 K1 Zn3 30.09(11) 2_655 . ?
O11 K1 Zn3 121.63(13) 2 . ?
O9 K1 Zn3 122.64(11) . . ?
O5 K1 Zn3 99.47(10) 1_565 . ?
Se1 K1 Zn3 98.12(4) . . ?
O6 K1 Se1 21.58(11) 2 2 ?
O3 K1 Se1 128.91(14) . 2 ?
O9 K1 Se1 142.86(14) 2_545 2 ?
O12 K1 Se1 127.09(14) 2_655 2 ?
O11 K1 Se1 70.05(11) 2 2 ?
O9 K1 Se1 91.25(10) . 2 ?
O5 K1 Se1 72.66(9) 1_565 2 ?
Se1 K1 Se1 113.78(5) . 2 ?
Zn3 K1 Se1 145.74(5) . 2 ?
O6 K1 Zn3 27.21(11) 2 3_575 ?
O3 K1 Zn3 151.80(13) . 3_575 ?
O9 K1 Zn3 101.74(14) 2_545 3_575 ?
O12 K1 Zn3 88.75(14) 2_655 3_575 ?
O11 K1 Zn3 89.21(13) 2 3_575 ?
O9 K1 Zn3 139.57(11) . 3_575 ?
O5 K1 Zn3 79.22(9) 1_565 3_575 ?
Se1 K1 Zn3 158.96(5) . 3_575 ?
Zn3 K1 Zn3 97.73(4) . 3_575 ?
Se1 K1 Zn3 48.35(2) 2 3_575 ?
O6 K1 K1 74.10(11) 2 2 ?
O3 K1 K1 77.82(14) . 2 ?
O9 K1 K1 153.44(14) 2_545 2 ?
O12 K1 K1 133.26(13) 2_655 2 ?
O11 K1 K1 75.83(13) 2 2 ?
O9 K1 K1 40.15(11) . 2 ?
O5 K1 K1 67.81(10) 1_565 2 ?
Se1 K1 K1 59.81(5) . 2 ?
Zn3 K1 K1 154.45(7) . 2 ?
Se1 K1 K1 53.98(2) 2 2 ?
Zn3 K1 K1 101.22(4) 3_575 2 ?
O2 K2 O7 153.30(17) . 2_655 ?
O2 K2 O8 123.60(18) . . ?
O7 K2 O8 81.36(17) 2_655 . ?
O2 K2 O1 80.36(16) . 4_576 ?
O7 K2 O1 75.63(15) 2_655 4_576 ?
O8 K2 O1 155.89(18) . 4_576 ?
O2 K2 O4 72.42(15) . 2_645 ?
O7 K2 O4 127.23(16) 2_655 2_645 ?
O8 K2 O4 77.92(17) . 2_645 ?
O1 K2 O4 110.60(15) 4_576 2_645 ?
O2 K2 O4 92.15(15) . . ?
O7 K2 O4 93.02(15) 2_655 . ?
O8 K2 O4 60.72(15) . . ?
O1 K2 O4 126.99(15) 4_576 . ?
O4 K2 O4 116.79(16) 2_645 . ?
O2 K2 O8 75.63(16) . 2_655 ?
O7 K2 O8 81.95(15) 2_655 2_655 ?
O8 K2 O8 125.24(14) . 2_655 ?
O1 K2 O8 58.65(14) 4_576 2_655 ?
O4 K2 O8 147.71(14) 2_645 2_655 ?
O4 K2 O8 68.59(13) . 2_655 ?
O2 K2 Zn2 88.44(12) . . ?
O7 K2 Zn2 64.92(11) 2_655 . ?
O8 K2 Zn2 139.11(15) . . ?
O1 K2 Zn2 30.98(10) 4_576 . ?
O4 K2 Zn2 140.94(12) 2_645 . ?
O4 K2 Zn2 97.15(11) . . ?
O8 K2 Zn2 32.15(10) 2_655 . ?
O2 K2 Se4 23.86(10) . . ?
O7 K2 Se4 136.01(11) 2_655 . ?
O8 K2 Se4 141.64(15) . . ?
O1 K2 Se4 60.43(11) 4_576 . ?
O4 K2 Se4 71.51(10) 2_645 . ?
O4 K2 Se4 114.25(10) . . ?
O8 K2 Se4 77.43(10) 2_655 . ?
Zn2 K2 Se4 77.42(3) . . ?
O2 K2 Zn1 169.65(12) . . ?
O7 K2 Zn1 30.37(10) 2_655 . ?
O8 K2 Zn1 50.99(14) . . ?
O1 K2 Zn1 105.83(12) 4_576 . ?
O4 K2 Zn1 112.02(11) 2_645 . ?
O4 K2 Zn1 77.51(10) . . ?
O8 K2 Zn1 100.26(10) 2_655 . ?
Zn2 K2 Zn1 92.88(4) . . ?
Se4 K2 Zn1 165.35(5) . . ?
O2 K2 Zn2 110.07(11) . 2_645 ?
O7 K2 Zn2 86.88(11) 2_655 2_645 ?
O8 K2 Zn2 29.95(11) . 2_645 ?
O1 K2 Zn2 151.77(11) 4_576 2_645 ?
O4 K2 Zn2 97.62(12) 2_645 2_645 ?
O4 K2 Zn2 30.77(9) . 2_645 ?
O8 K2 Zn2 97.51(10) 2_655 2_645 ?
Zn2 K2 Zn2 121.12(5) . 2_645 ?
Se4 K2 Zn2 133.85(5) . 2_645 ?
Zn1 K2 Zn2 60.65(3) . 2_645 ?
O2 K2 Se2 67.24(11) . . ?
O7 K2 Se2 115.57(12) 2_655 . ?
O8 K2 Se2 76.80(12) . . ?
O1 K2 Se2 119.75(12) 4_576 . ?
O4 K2 Se2 106.01(12) 2_645 . ?
O4 K2 Se2 24.92(9) . . ?
O8 K2 Se2 64.66(10) 2_655 . ?
Zn2 K2 Se2 96.79(4) . . ?
Se4 K2 Se2 89.75(4) . . ?
Zn1 K2 Se2 102.41(4) . . ?
Zn2 K2 Se2 49.14(3) 2_645 . ?
O11 Zn1 O3 96.4(3) . . ?
O11 Zn1 O2 128.0(2) . 2_655 ?
O3 Zn1 O2 107.8(2) . 2_655 ?
O11 Zn1 O7 119.6(2) . 2_655 ?
O3 Zn1 O7 110.9(2) . 2_655 ?
O2 Zn1 O7 94.0(2) 2_655 2_655 ?
O11 Zn1 K2 90.55(18) . . ?
O3 Zn1 K2 153.32(16) . . ?
O2 Zn1 K2 87.46(15) 2_655 . ?
O7 Zn1 K2 44.71(15) 2_655 . ?
O10 Zn2 O1 115.6(2) 1_565 4_576 ?
O10 Zn2 O4 111.8(3) 1_565 2_655 ?
O1 Zn2 O4 112.1(2) 4_576 2_655 ?
O10 Zn2 O8 118.7(3) 1_565 2_655 ?
O1 Zn2 O8 99.8(2) 4_576 2_655 ?
O4 Zn2 O8 96.9(2) 2_655 2_655 ?
O10 Zn2 K2 159.1(2) 1_565 . ?
O1 Zn2 K2 47.65(14) 4_576 . ?
O4 Zn2 K2 88.27(16) 2_655 . ?
O8 Zn2 K2 61.74(19) 2_655 . ?
O10 Zn2 K2 130.64(18) 1_565 2_655 ?
O1 Zn2 K2 113.31(14) 4_576 2_655 ?
O4 Zn2 K2 52.31(16) 2_655 2_655 ?
O8 Zn2 K2 44.63(16) 2_655 2_655 ?
K2 Zn2 K2 66.12(3) . 2_655 ?
O12 Zn3 O5 128.4(2) 2_655 . ?
O12 Zn3 O6 104.9(2) 2_655 4_575 ?
O5 Zn3 O6 101.5(2) . 4_575 ?
O12 Zn3 O9 90.4(2) 2_655 2_545 ?
O5 Zn3 O9 119.9(3) . 2_545 ?
O6 Zn3 O9 110.9(2) 4_575 2_545 ?
O12 Zn3 K1 46.00(16) 2_655 . ?
O5 Zn3 K1 139.50(16) . . ?
O6 Zn3 K1 118.93(15) 4_575 . ?
O9 Zn3 K1 44.59(16) 2_545 . ?
O12 Zn3 K1 73.04(19) 2_655 3_575 ?
O5 Zn3 K1 138.06(16) . 3_575 ?
O6 Zn3 K1 37.65(15) 4_575 3_575 ?
O9 Zn3 K1 91.45(18) 2_545 3_575 ?
K1 Zn3 K1 82.27(4) . 3_575 ?
O3 Se1 O6 103.1(3) . . ?
O3 Se1 O9 97.7(3) . . ?
O6 Se1 O9 101.1(3) . . ?
O3 Se1 K1 43.99(18) . . ?
O6 Se1 K1 101.59(17) . . ?
O9 Se1 K1 54.5(2) . . ?
O3 Se1 K1 70.6(2) . 2_545 ?
O6 Se1 K1 35.16(17) . 2_545 ?
O9 Se1 K1 92.3(2) . 2_545 ?
K1 Se1 K1 69.05(3) . 2_545 ?
O1 Se2 O4 102.6(3) . . ?
O1 Se2 O7 103.5(2) . . ?
O4 Se2 O7 103.2(3) . . ?
O1 Se2 K2 142.84(18) . . ?
O4 Se2 K2 49.79(19) . . ?
O7 Se2 K2 67.42(19) . . ?
O5 Se3 O8 105.5(3) . . ?
O5 Se3 O11 101.2(3) . . ?
O8 Se3 O11 100.6(3) . . ?
O10 Se4 O12 102.8(3) . . ?
O10 Se4 O2 102.2(3) . . ?
O12 Se4 O2 102.4(3) . . ?
O10 Se4 K2 94.2(2) . . ?
O12 Se4 K2 142.1(2) . . ?
O2 Se4 K2 40.39(17) . . ?
Se2 O1 Zn2 126.1(3) . 4_575 ?
Se2 O1 K2 132.4(3) . 4_575 ?
Zn2 O1 K2 101.37(18) 4_575 4_575 ?
Se4 O2 Zn1 121.6(3) . 2_645 ?
Se4 O2 K2 115.7(2) . . ?
Zn1 O2 K2 122.3(2) 2_645 . ?
Se1 O3 Zn1 126.7(3) . . ?
Se1 O3 K1 110.8(2) . . ?
Zn1 O3 K1 121.6(2) . . ?
Se2 O4 Zn2 121.5(3) . 2_645 ?
Se2 O4 K2 118.3(2) . 2_655 ?
Zn2 O4 K2 116.0(2) 2_645 2_655 ?
Se2 O4 K2 105.3(2) . . ?
Zn2 O4 K2 96.9(2) 2_645 . ?
K2 O4 K2 87.64(14) 2_655 . ?
Se3 O5 Zn3 121.1(3) . . ?
Se3 O5 K1 102.7(2) . 1_545 ?
Zn3 O5 K1 100.5(2) . 1_545 ?
Se1 O6 Zn3 119.9(3) . 4_576 ?
Se1 O6 K1 123.3(2) . 2_545 ?
Zn3 O6 K1 115.1(2) 4_576 2_545 ?
Se2 O7 Zn1 119.6(3) . 2_645 ?
Se2 O7 K2 133.8(3) . 2_645 ?
Zn1 O7 K2 104.9(2) 2_645 2_645 ?
Se3 O8 Zn2 125.2(3) . 2_645 ?
Se3 O8 K2 128.2(3) . . ?
Zn2 O8 K2 105.4(2) 2_645 . ?
Se3 O8 K2 106.5(3) . 2_645 ?
Zn2 O8 K2 86.1(2) 2_645 2_645 ?
K2 O8 K2 84.98(15) . 2_645 ?
Se1 O9 Zn3 118.1(3) . 2 ?
Se1 O9 K1 126.5(3) . 2 ?
Zn3 O9 K1 105.0(2) 2 2 ?
Se1 O9 K1 98.7(2) . . ?
Zn3 O9 K1 110.0(2) 2 . ?
K1 O9 K1 94.53(16) 2 . ?
Se4 O10 Zn2 123.9(3) . 1_545 ?
Se3 O11 Zn1 119.3(3) . . ?
Se3 O11 K1 121.2(3) . 2_545 ?
Zn1 O11 K1 118.1(2) . 2_545 ?
Se4 O12 Zn3 122.0(3) . 2_645 ?
Se4 O12 K1 131.6(3) . 2_645 ?
Zn3 O12 K1 103.9(2) 2_645 2_645 ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        27.52
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         2.048
_refine_diff_density_min         -2.149
_refine_diff_density_rms         0.661
