# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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. 
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data_2_131_4_0m_a
_database_code_depnum_ccdc_archive 'CCDC 1981819'
_audit_update_record             
;
2020-02-04 deposited with the CCDC.	2021-10-04 downloaded from the CCDC.
;

_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            'K Mo0.50 O5 P Zn0.50'
_chemical_formula_weight         230.73

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'
Mo Mo -1.6832 0.6857 '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'
P P 0.1023 0.0942 '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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

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

_cell_length_a                   9.4513(10)
_cell_length_b                   9.6531(11)
_cell_length_c                   10.1175(12)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     923.06(18)
_cell_formula_units_Z            8
_cell_measurement_temperature    299(2)
_cell_measurement_reflns_used    1540
_cell_measurement_theta_min      2.92
_cell_measurement_theta_max      27.11

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.320
_exptl_crystal_F_000             880
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    5.246
_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      299(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            5924
_diffrn_reflns_av_unetI/netI     0.0885
_diffrn_reflns_av_R_equivalents  0.0632
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.917
_diffrn_reflns_theta_max         27.485
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             2110
_reflns_number_gt                1741
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.706
_reflns_Friedel_fraction_max     0.991
_reflns_Friedel_fraction_full    0.996

_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0483P)²+4.5001P] 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     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 577 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.06(3)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         2110
_refine_ls_number_parameters     145
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0712
_refine_ls_R_factor_gt           0.0524
_refine_ls_wR_factor_ref         0.1224
_refine_ls_wR_factor_gt          0.1094
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.035
_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
K1 K 0.3589(4) 1.0108(4) 0.5524(4) 0.0298(9) Uani 1 1 d . . . . .
K2 K 0.8774(3) 0.8201(4) 0.7588(3) 0.0242(8) Uani 1 1 d . . . . .
Zn1 Zn 0.53972(19) 0.35469(18) 0.59727(17) 0.0225(4) Uani 1 1 d . . . . .
Mo1 Mo 0.69354(12) 0.83013(13) 0.38375(11) 0.0146(3) Uani 1 1 d . . . . .
P1 P 0.5583(3) 0.6835(4) 0.6483(3) 0.0113(7) Uani 1 1 d . . . . .
P2 P 0.7837(4) 0.1288(4) 0.5731(3) 0.0134(8) Uani 1 1 d . . . . .
O1 O 0.6720(11) 0.6686(12) 0.3192(10) 0.027(2) Uani 1 1 d . . . . .
O2 O 0.5265(10) 0.8944(12) 0.3655(11) 0.027(3) Uani 1 1 d . . . . .
O3 O 0.6727(10) 0.7610(11) 0.5674(10) 0.025(3) Uani 1 1 d . . . . .
O4 O 0.4147(9) 0.7109(11) 0.5852(10) 0.021(2) Uani 1 1 d . . . . .
O5 O 0.5715(10) 0.7403(12) 0.7884(11) 0.025(3) Uani 1 1 d . . . . .
O6 O 0.6016(11) 0.5338(11) 0.6510(11) 0.028(3) Uani 1 1 d . . . . .
O7 O 0.7114(12) 0.2632(11) 0.5381(11) 0.029(3) Uani 1 1 d . . . . .
O9 O 0.7433(15) 0.0195(12) 0.4759(11) 0.036(3) Uani 1 1 d . U . . .
O8 O 0.7405(11) 0.0819(10) 0.7146(9) 0.017(2) Uani 1 1 d . . . . .
O10 O 0.9419(10) 0.1532(16) 0.5713(10) 0.039(3) 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 O2 2.711(11) . ?
K1 O7 2.745(12) 4_466 ?
K1 O1 2.794(11) 4_466 ?
K1 O5 2.817(12) 3_656 ?
K1 O4 2.962(12) . ?
K1 O6 3.033(12) 3_656 ?
K1 O6 3.214(12) 4_466 ?
K1 O3 3.384(11) 4_466 ?
K1 P1 3.544(5) 3_656 ?
K1 Zn1 3.616(4) 4_466 ?
K1 Mo1 3.700(4) 4_466 ?
K1 Zn1 3.761(4) 1_565 ?
K2 O3 2.796(11) . ?
K2 O2 2.803(12) 4_566 ?
K2 O8 2.875(10) 1_565 ?
K2 O1 2.896(11) 4_566 ?
K2 O10 2.910(13) 3_756 ?
K2 O9 2.920(12) 2_665 ?
K2 O5 3.008(11) . ?
K2 O7 3.056(12) 2_665 ?
K2 O2 3.096(12) 2_675 ?
K2 P1 3.476(5) . ?
K2 P2 3.561(5) 2_665 ?
K2 Mo1 3.620(3) 4_566 ?
Zn1 O6 1.904(11) . ?
Zn1 O5 1.914(10) 3_646 ?
Zn1 O10 1.941(10) 4_456 ?
Zn1 O7 1.942(10) . ?
Mo1 O1 1.702(11) . ?
Mo1 O2 1.706(10) . ?
Mo1 O3 1.983(10) . ?
Mo1 O8 2.009(10) 2_664 ?
Mo1 O9 2.105(11) 1_565 ?
Mo1 O4 2.151(9) 4_566 ?
P1 O6 1.502(11) . ?
P1 O4 1.523(9) . ?
P1 O5 1.524(11) . ?
P1 O3 1.550(10) . ?
P2 O9 1.493(11) . ?
P2 O7 1.509(11) . ?
P2 O10 1.514(10) . ?
P2 O8 1.556(10) . ?

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
O2 K1 O7 113.2(4) . 4_466 ?
O2 K1 O1 115.9(4) . 4_466 ?
O7 K1 O1 109.1(3) 4_466 4_466 ?
O2 K1 O5 126.0(4) . 3_656 ?
O7 K1 O5 71.6(3) 4_466 3_656 ?
O1 K1 O5 111.7(3) 4_466 3_656 ?
O2 K1 O4 64.5(3) . . ?
O7 K1 O4 154.7(3) 4_466 . ?
O1 K1 O4 56.9(3) 4_466 . ?
O5 K1 O4 131.5(3) 3_656 . ?
O2 K1 O6 130.4(3) . 3_656 ?
O7 K1 O6 109.5(3) 4_466 3_656 ?
O1 K1 O6 70.3(3) 4_466 3_656 ?
O5 K1 O6 49.3(3) 3_656 3_656 ?
O4 K1 O6 86.5(3) . 3_656 ?
O2 K1 O6 86.6(3) . 4_466 ?
O7 K1 O6 60.6(3) 4_466 4_466 ?
O1 K1 O6 74.7(3) 4_466 4_466 ?
O5 K1 O6 130.4(3) 3_656 4_466 ?
O4 K1 O6 94.3(3) . 4_466 ?
O6 K1 O6 137.4(2) 3_656 4_466 ?
O2 K1 O3 74.5(3) . 4_466 ?
O7 K1 O3 103.5(3) 4_466 4_466 ?
O1 K1 O3 50.0(3) 4_466 4_466 ?
O5 K1 O3 159.4(3) 3_656 4_466 ?
O4 K1 O3 51.3(2) . 4_466 ?
O6 K1 O3 118.4(3) 3_656 4_466 ?
O6 K1 O3 43.4(3) 4_466 4_466 ?
O2 K1 P1 131.4(3) . 3_656 ?
O7 K1 P1 91.3(3) 4_466 3_656 ?
O1 K1 P1 92.0(2) 4_466 3_656 ?
O5 K1 P1 24.5(2) 3_656 3_656 ?
O4 K1 P1 109.0(2) . 3_656 ?
O6 K1 P1 24.9(2) 3_656 3_656 ?
O6 K1 P1 141.0(2) 4_466 3_656 ?
O3 K1 P1 141.8(2) 4_466 3_656 ?
O2 K1 Zn1 110.1(2) . 4_466 ?
O7 K1 Zn1 32.0(2) 4_466 4_466 ?
O1 K1 Zn1 83.7(2) 4_466 4_466 ?
O5 K1 Zn1 98.8(2) 3_656 4_466 ?
O4 K1 Zn1 123.1(2) . 4_466 ?
O6 K1 Zn1 119.4(2) 3_656 4_466 ?
O6 K1 Zn1 31.69(19) 4_466 4_466 ?
O3 K1 Zn1 72.23(18) 4_466 4_466 ?
P1 K1 Zn1 111.92(11) 3_656 4_466 ?
O2 K1 Mo1 90.0(3) . 4_466 ?
O7 K1 Mo1 123.4(2) 4_466 4_466 ?
O1 K1 Mo1 25.9(2) 4_466 4_466 ?
O5 K1 Mo1 134.3(2) 3_656 4_466 ?
O4 K1 Mo1 35.53(17) . 4_466 ?
O6 K1 Mo1 86.8(2) 3_656 4_466 ?
O6 K1 Mo1 70.9(2) 4_466 4_466 ?
O3 K1 Mo1 32.13(18) 4_466 4_466 ?
P1 K1 Mo1 111.26(11) 3_656 4_466 ?
Zn1 K1 Mo1 92.31(9) 4_466 4_466 ?
O2 K1 Zn1 100.6(3) . 1_565 ?
O7 K1 Zn1 64.5(2) 4_466 1_565 ?
O1 K1 Zn1 141.1(3) 4_466 1_565 ?
O5 K1 Zn1 29.6(2) 3_656 1_565 ?
O4 K1 Zn1 140.2(2) . 1_565 ?
O6 K1 Zn1 76.1(2) 3_656 1_565 ?
O6 K1 Zn1 122.6(2) 4_466 1_565 ?
O3 K1 Zn1 164.6(2) 4_466 1_565 ?
P1 K1 Zn1 51.78(8) 3_656 1_565 ?
Zn1 K1 Zn1 96.48(9) 4_466 1_565 ?
Mo1 K1 Zn1 162.91(12) 4_466 1_565 ?
O3 K2 O2 83.5(3) . 4_566 ?
O3 K2 O8 76.1(3) . 1_565 ?
O2 K2 O8 143.7(3) 4_566 1_565 ?
O3 K2 O1 119.0(3) . 4_566 ?
O2 K2 O1 54.7(3) 4_566 4_566 ?
O8 K2 O1 110.9(3) 1_565 4_566 ?
O3 K2 O10 134.6(4) . 3_756 ?
O2 K2 O10 64.0(3) 4_566 3_756 ?
O8 K2 O10 147.4(4) 1_565 3_756 ?
O1 K2 O10 67.5(3) 4_566 3_756 ?
O3 K2 O9 111.0(4) . 2_665 ?
O2 K2 O9 157.8(3) 4_566 2_665 ?
O8 K2 O9 58.3(3) 1_565 2_665 ?
O1 K2 O9 124.1(4) 4_566 2_665 ?
O10 K2 O9 94.5(3) 3_756 2_665 ?
O3 K2 O5 49.6(3) . . ?
O2 K2 O5 109.8(3) 4_566 . ?
O8 K2 O5 78.9(3) 1_565 . ?
O1 K2 O5 164.0(3) 4_566 . ?
O10 K2 O5 111.3(3) 3_756 . ?
O9 K2 O5 71.7(3) 2_665 . ?
O3 K2 O7 113.4(3) . 2_665 ?
O2 K2 O7 111.0(3) 4_566 2_665 ?
O8 K2 O7 104.6(3) 1_565 2_665 ?
O1 K2 O7 121.7(3) 4_566 2_665 ?
O10 K2 O7 57.9(3) 3_756 2_665 ?
O9 K2 O7 48.4(3) 2_665 2_665 ?
O5 K2 O7 64.9(3) . 2_665 ?
O3 K2 O2 128.7(3) . 2_675 ?
O2 K2 O2 131.81(16) 4_566 2_675 ?
O8 K2 O2 53.4(3) 1_565 2_675 ?
O1 K2 O2 77.3(3) 4_566 2_675 ?
O10 K2 O2 96.6(3) 3_756 2_675 ?
O9 K2 O2 51.7(3) 2_665 2_675 ?
O5 K2 O2 118.4(3) . 2_675 ?
O7 K2 O2 89.6(3) 2_665 2_675 ?
O3 K2 P1 25.8(2) . . ?
O2 K2 P1 90.7(2) 4_566 . ?
O8 K2 P1 83.9(2) 1_565 . ?
O1 K2 P1 139.5(2) 4_566 . ?
O10 K2 P1 119.3(3) 3_756 . ?
O9 K2 P1 96.0(3) 2_665 . ?
O5 K2 P1 25.9(2) . . ?
O7 K2 P1 87.7(2) 2_665 . ?
O2 K2 P1 134.8(2) 2_675 . ?
O3 K2 P2 110.5(2) . 2_665 ?
O2 K2 P2 135.9(3) 4_566 2_665 ?
O8 K2 P2 79.9(2) 1_565 2_665 ?
O1 K2 P2 130.5(2) 4_566 2_665 ?
O10 K2 P2 78.5(2) 3_756 2_665 ?
O9 K2 P2 24.1(2) 2_665 2_665 ?
O5 K2 P2 62.3(2) . 2_665 ?
O7 K2 P2 24.9(2) 2_665 2_665 ?
O2 K2 P2 72.0(2) 2_675 2_665 ?
P1 K2 P2 88.20(11) . 2_665 ?
O3 K2 Mo1 102.3(2) . 4_566 ?
O2 K2 Mo1 27.2(2) 4_566 4_566 ?
O8 K2 Mo1 131.4(2) 1_565 4_566 ?
O1 K2 Mo1 27.5(2) 4_566 4_566 ?
O10 K2 Mo1 61.9(2) 3_756 4_566 ?
O9 K2 Mo1 146.6(3) 2_665 4_566 ?
O5 K2 Mo1 136.9(2) . 4_566 ?
O7 K2 Mo1 119.3(2) 2_665 4_566 ?
O2 K2 Mo1 104.7(2) 2_675 4_566 ?
P1 K2 Mo1 115.86(12) . 4_566 ?
P2 K2 Mo1 139.84(11) 2_665 4_566 ?
O6 Zn1 O5 121.3(5) . 3_646 ?
O6 Zn1 O10 115.6(6) . 4_456 ?
O5 Zn1 O10 104.3(5) 3_646 4_456 ?
O6 Zn1 O7 104.1(5) . . ?
O5 Zn1 O7 112.5(5) 3_646 . ?
O10 Zn1 O7 96.3(5) 4_456 . ?
O6 Zn1 K1 62.5(4) . 4_566 ?
O5 Zn1 K1 156.7(3) 3_646 4_566 ?
O10 Zn1 K1 92.5(3) 4_456 4_566 ?
O7 Zn1 K1 48.5(3) . 4_566 ?
O6 Zn1 K1 167.2(4) . 1_545 ?
O5 Zn1 K1 46.7(4) 3_646 1_545 ?
O10 Zn1 K1 69.1(4) 4_456 1_545 ?
O7 Zn1 K1 86.6(4) . 1_545 ?
K1 Zn1 K1 130.20(8) 4_566 1_545 ?
O6 Zn1 K2 125.6(4) . 2_664 ?
O5 Zn1 K2 113.1(4) 3_646 2_664 ?
O10 Zn1 K2 46.1(4) 4_456 2_664 ?
O7 Zn1 K2 50.5(3) . 2_664 ?
K1 Zn1 K2 67.65(8) 4_566 2_664 ?
K1 Zn1 K2 66.63(8) 1_545 2_664 ?
O6 Zn1 K1 47.7(4) . 3_646 ?
O5 Zn1 K1 79.2(4) 3_646 3_646 ?
O10 Zn1 K1 156.1(4) 4_456 3_646 ?
O7 Zn1 K1 104.2(4) . 3_646 ?
K1 Zn1 K1 92.07(6) 4_566 3_646 ?
K1 Zn1 K1 123.55(8) 1_545 3_646 ?
K2 Zn1 K1 154.24(8) 2_664 3_646 ?
O1 Mo1 O2 100.4(5) . . ?
O1 Mo1 O3 92.3(5) . . ?
O2 Mo1 O3 97.6(5) . . ?
O1 Mo1 O8 95.6(4) . 2_664 ?
O2 Mo1 O8 92.4(5) . 2_664 ?
O3 Mo1 O8 166.0(4) . 2_664 ?
O1 Mo1 O9 172.6(5) . 1_565 ?
O2 Mo1 O9 86.5(6) . 1_565 ?
O3 Mo1 O9 84.2(4) . 1_565 ?
O8 Mo1 O9 86.6(4) 2_664 1_565 ?
O1 Mo1 O4 90.2(5) . 4_566 ?
O2 Mo1 O4 169.1(5) . 4_566 ?
O3 Mo1 O4 84.1(4) . 4_566 ?
O8 Mo1 O4 84.3(4) 2_664 4_566 ?
O9 Mo1 O4 83.0(5) 1_565 4_566 ?
O1 Mo1 K2 51.8(4) . 4_466 ?
O2 Mo1 K2 48.6(4) . 4_466 ?
O3 Mo1 K2 99.0(3) . 4_466 ?
O8 Mo1 K2 94.9(3) 2_664 4_466 ?
O9 Mo1 K2 135.1(4) 1_565 4_466 ?
O4 Mo1 K2 141.9(3) 4_566 4_466 ?
O1 Mo1 K2 133.5(4) . 2_674 ?
O2 Mo1 K2 57.2(4) . 2_674 ?
O3 Mo1 K2 127.9(3) . 2_674 ?
O8 Mo1 K2 51.3(3) 2_664 2_674 ?
O9 Mo1 K2 52.7(3) 1_565 2_674 ?
O4 Mo1 K2 113.4(3) 4_566 2_674 ?
K2 Mo1 K2 94.62(5) 4_466 2_674 ?
O1 Mo1 K1 45.8(4) . 4_566 ?
O2 Mo1 K1 137.2(4) . 4_566 ?
O3 Mo1 K1 65.1(3) . 4_566 ?
O8 Mo1 K1 113.2(3) 2_664 4_566 ?
O9 Mo1 K1 126.9(4) 1_565 4_566 ?
O4 Mo1 K1 53.2(3) 4_566 4_566 ?
K2 Mo1 K1 93.54(9) 4_466 4_566 ?
K2 Mo1 K1 163.01(8) 2_674 4_566 ?
O1 Mo1 K1 118.0(4) . . ?
O2 Mo1 K1 32.3(4) . . ?
O3 Mo1 K1 70.6(3) . . ?
O8 Mo1 K1 115.1(3) 2_664 . ?
O9 Mo1 K1 67.0(4) 1_565 . ?
O4 Mo1 K1 142.0(3) 4_566 . ?
K2 Mo1 K1 72.03(8) 4_466 . ?
K2 Mo1 K1 66.45(7) 2_674 . ?
K1 Mo1 K1 130.40(6) 4_566 . ?
O6 P1 O4 114.7(6) . . ?
O6 P1 O5 107.9(7) . . ?
O4 P1 O5 113.6(6) . . ?
O6 P1 O3 106.5(6) . . ?
O4 P1 O3 108.4(6) . . ?
O5 P1 O3 105.1(6) . . ?
O6 P1 K2 97.1(4) . . ?
O4 P1 K2 147.4(5) . . ?
O5 P1 K2 59.6(4) . . ?
O3 P1 K2 51.8(4) . . ?
O6 P1 K1 58.1(5) . 3_646 ?
O4 P1 K1 129.6(4) . 3_646 ?
O5 P1 K1 50.0(5) . 3_646 ?
O3 P1 K1 121.6(4) . 3_646 ?
K2 P1 K1 73.26(10) . 3_646 ?
O6 P1 K1 159.8(4) . . ?
O4 P1 K1 46.2(4) . . ?
O5 P1 K1 88.8(5) . . ?
O3 P1 K1 79.0(4) . . ?
K2 P1 K1 101.35(12) . . ?
K1 P1 K1 135.88(11) 3_646 . ?
O9 P2 O7 109.7(7) . . ?
O9 P2 O10 110.8(8) . . ?
O7 P2 O10 108.1(7) . . ?
O9 P2 O8 109.5(6) . . ?
O7 P2 O8 110.3(6) . . ?
O10 P2 O8 108.4(6) . . ?
O9 P2 K2 53.1(5) . 2_664 ?
O7 P2 K2 58.5(5) . 2_664 ?
O10 P2 K2 112.9(4) . 2_664 ?
O8 P2 K2 138.6(4) . 2_664 ?
O9 P2 K2 79.8(5) . 1_545 ?
O7 P2 K2 159.6(4) . 1_545 ?
O10 P2 K2 83.9(5) . 1_545 ?
O8 P2 K2 49.4(4) . 1_545 ?
K2 P2 K2 132.83(12) 2_664 1_545 ?
O9 P2 K1 118.6(5) . 4_566 ?
O7 P2 K1 38.1(4) . 4_566 ?
O10 P2 K1 70.5(6) . 4_566 ?
O8 P2 K1 128.9(4) . 4_566 ?
K2 P2 K1 69.62(11) 2_664 4_566 ?
K2 P2 K1 152.28(14) 1_545 4_566 ?
Mo1 O1 K1 108.3(5) . 4_566 ?
Mo1 O1 K2 100.7(5) . 4_466 ?
K1 O1 K2 139.2(4) 4_566 4_466 ?
Mo1 O2 K1 128.0(5) . . ?
Mo1 O2 K2 104.2(5) . 4_466 ?
K1 O2 K2 109.0(4) . 4_466 ?
Mo1 O2 K2 95.2(4) . 2_674 ?
K1 O2 K2 92.6(3) . 2_674 ?
K2 O2 K2 130.4(4) 4_466 2_674 ?
P1 O3 Mo1 136.6(6) . . ?
P1 O3 K2 102.4(5) . . ?
Mo1 O3 K2 120.8(4) . . ?
P1 O3 K1 100.2(5) . 4_566 ?
Mo1 O3 K1 82.8(3) . 4_566 ?
K2 O3 K1 92.7(3) . 4_566 ?
P1 O4 Mo1 140.6(6) . 4_466 ?
P1 O4 K1 112.1(5) . . ?
Mo1 O4 K1 91.3(3) 4_466 . ?
P1 O5 Zn1 136.4(7) . 3_656 ?
P1 O5 K1 105.5(6) . 3_646 ?
Zn1 O5 K1 103.7(5) 3_656 3_646 ?
P1 O5 K2 94.5(5) . . ?
Zn1 O5 K2 116.1(4) 3_656 . ?
K1 O5 K2 91.9(3) 3_646 . ?
P1 O6 Zn1 141.7(6) . . ?
P1 O6 K1 97.0(5) . 3_646 ?
Zn1 O6 K1 104.7(5) . 3_646 ?
P1 O6 K1 108.9(6) . 4_566 ?
Zn1 O6 K1 85.9(4) . 4_566 ?
K1 O6 K1 122.0(3) 3_646 4_566 ?
P2 O7 Zn1 134.2(7) . . ?
P2 O7 K1 122.1(6) . 4_566 ?
Zn1 O7 K1 99.5(4) . 4_566 ?
P2 O7 K2 96.6(5) . 2_664 ?
Zn1 O7 K2 100.1(4) . 2_664 ?
K1 O7 K2 92.3(3) 4_566 2_664 ?
P2 O9 Mo1 164.3(8) . 1_545 ?
P2 O9 K2 102.8(6) . 2_664 ?
Mo1 O9 K2 92.3(4) 1_545 2_664 ?
P2 O8 Mo1 125.4(6) . 2_665 ?
P2 O8 K2 106.3(5) . 1_545 ?
Mo1 O8 K2 95.7(4) 2_665 1_545 ?
P2 O10 Zn1 118.4(6) . 4_556 ?
P2 O10 K2 131.2(7) . 3_746 ?
Zn1 O10 K2 105.2(4) 4_556 3_746 ?

_refine_diff_density_max         1.512
_refine_diff_density_min         -1.236
_refine_diff_density_rms         0.236

