# Supplementary Information (SI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2026

####################################################################### 
# 
# 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_111
_database_code_depnum_ccdc_archive 'CCDC 2539219'
loop_
_audit_author_name
_audit_author_address
'Sheng-Ping Guo'
;Yunnan University
China
;
_audit_update_record             
;
2026-03-19 deposited with the CCDC.	2026-05-22 downloaded from the CCDC.
;
_audit_creation_date             2026-03-19
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_chemical_formula_moiety         'Ag Cu2 P S4'
_chemical_formula_sum            'Ag Cu2 P S4'
_chemical_formula_weight         394.198
_chemical_absolute_configuration unk
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
Ag -0.87490 1.10631 19.28080 16.68850 4.80450 1.04630 0.64460 7.47260 24.66050
99.81560 5.17900 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
Cu 0.32831 1.27084 13.33800 7.16760 5.61580 1.67350 3.58280 0.24700 11.39660
64.81260 1.19100 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
P 0.10265 0.09519 6.43450 4.17910 1.78000 1.49080 1.90670 27.15700 0.52600
68.16450 1.11490 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
S 0.12485 0.12449 6.90530 5.20340 1.43790 1.58630 1.46790 22.21510 0.25360
56.17200 0.86690 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           31
_space_group_name_H-M_alt        'P m n 21'
_space_group_name_Hall           ' P 2ac -2'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,-y,z+1/2
3 -x,y,z
4 x+1/2,-y,z+1/2

_symmetry_Int_Tables_number      31
_cell_length_a                   7.6319(6)
_cell_length_b                   6.2924(4)
_cell_length_c                   6.1763(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     296.60(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2191
_cell_measurement_temperature    273.15
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      3.237
_exptl_absorpt_coefficient_mu    11.906
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.4015
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1468 before and 0.0780 after correction.
The Ratio of minimum to maximum transmission is 0.5386.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    4.414
_exptl_crystal_description       block
_exptl_crystal_F_000             368.957
_exptl_crystal_size_max          0.002
_exptl_crystal_size_mid          0.0015
_exptl_crystal_size_min          0.001
_diffrn_reflns_av_R_equivalents  0.0435
_diffrn_reflns_av_unetI/netI     0.0463
_diffrn_reflns_Laue_measured_fraction_full 0.9937
_diffrn_reflns_Laue_measured_fraction_max 0.9950
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            2292
_diffrn_reflns_point_group_measured_fraction_full 0.9185
_diffrn_reflns_point_group_measured_fraction_max 0.8875
_diffrn_reflns_theta_full        25.2417
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         3.24
_diffrn_ambient_temperature      273.15
_diffrn_measured_fraction_theta_full 0.9937
_diffrn_measured_fraction_theta_max 0.9950
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.758
_reflns_limit_h_max              9
_reflns_limit_h_min              -9
_reflns_limit_k_max              8
_reflns_limit_k_min              -8
_reflns_limit_l_max              7
_reflns_limit_l_min              -8
_reflns_number_gt                641
_reflns_number_total             647
_reflns_threshold_expression     I>=2u(I)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.5 (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         0.6461
_refine_diff_density_min         -1.3272
_refine_diff_density_rms         0.2402
_refine_ls_abs_structure_details 
'Hooft, R.W.W., Straver, L.H., Spek, A.L. (2010). J. Appl. Cryst., 43, 665-668.'
_refine_ls_abs_structure_Flack   0.07(2)
_refine_ls_d_res_high            0.7704
_refine_ls_d_res_low             6.2924
_refine_ls_extinction_coef       0.089(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_goodness_of_fit_ref   1.0096
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     45
_refine_ls_number_reflns         647
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0326
_refine_ls_R_factor_gt           0.0324
_refine_ls_restrained_S_all      1.0096
_refine_ls_shift/su_max          -0.0009
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0470P)²+1.2666P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0832
_refine_ls_wR_factor_ref         0.0833
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.919486
 0.080514
;
_atom_sites_solution_primary     iterative
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_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Ag1 Ag 0.5 0.35271(12) 0.08662(4) 0.0305(3) Uani 1.000000 2 S T P
Cu1 Cu 0.75261(9) 0.81384(11) 0.09155(10) 0.0185(3) Uani 1.000000 1 . . .
S1 S 0.7202(2) 0.8367(2) 0.4639(2) 0.0122(3) Uani 1.000000 1 . . .
S2 S 0.5 0.3725(3) 0.4907(3) 0.0111(4) Uani 1.000000 2 S T P
S3 S 0.5 0.7171(4) 0.9165(3) 0.0136(5) Uani 1.000000 2 S T P
P1 P 0.5 0.6875(3) 0.5820(3) 0.0059(4) Uani 1.000000 2 S T P


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
Ag1 S1 2.5603(17) 2_664 ?
Ag1 S1 2.5603(17) 4_464 ?
Ag1 S2 2.4988(18) . ?
Ag1 S3 2.522(2) 1_554 ?
Cu1 S1 2.3451(16) 2_674 ?
Cu1 S1 2.3173(18) . ?
Cu1 S2 2.3081(13) 4_564 ?
Cu1 S3 2.2927(13) 3_654 ?
S1 P1 2.0588(18) 3_655 ?
S2 P1 2.061(2) . ?
S3 P1 2.074(3) . ?

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
S1 Ag1 S1 113.02(7) 4_464 2_664 ?
S2 Ag1 S1 108.60(4) . 4_464 ?
S2 Ag1 S1 108.60(4) . 2_664 ?
S3 Ag1 S1 107.45(4) 1_554 2_664 ?
S3 Ag1 S1 107.45(4) 1_554 4_464 ?
S3 Ag1 S2 111.77(7) 1_554 . ?
S2 Cu1 S1 108.25(6) 4_564 2_674 ?
S2 Cu1 S1 112.75(7) 4_564 . ?
S3 Cu1 S1 99.49(7) 3_654 2_674 ?
S3 Cu1 S1 113.25(6) 3_654 . ?
S3 Cu1 S2 115.19(6) 3_654 4_564 ?
Cu1 S1 Ag1 105.26(6) 2_675 4_565 ?
Cu1 S1 Ag1 100.13(6) . 4_565 ?
P1 S1 Ag1 111.31(7) 3_655 4_565 ?
P1 S1 Cu1 114.24(9) 3_655 . ?
P1 S1 Cu1 112.38(9) 3_655 2_675 ?
Cu1 S2 Ag1 104.14(6) 2_665 . ?
Cu1 S2 Ag1 104.14(6) 4_465 . ?
Cu1 S2 Cu1 109.78(8) 2_665 4_465 ?
P1 S2 Ag1 108.74(10) . . ?
P1 S2 Cu1 114.50(6) . 4_465 ?
P1 S2 Cu1 114.50(6) . 2_665 ?
Cu1 S3 Ag1 92.58(7) 3_656 1_556 ?
Cu1 S3 Ag1 92.58(7) 1_556 1_556 ?
Cu1 S3 Cu1 114.47(9) 1_556 3_656 ?
P1 S3 Ag1 109.47(10) . 1_556 ?
P1 S3 Cu1 119.57(6) . 3_656 ?
P1 S3 Cu1 119.57(6) . 1_556 ?
S1 P1 S1 109.43(12) 3_655 . ?
S2 P1 S1 109.98(9) . 3_655 ?
S2 P1 S1 109.98(9) . . ?
S3 P1 S1 108.18(8) . . ?
S3 P1 S1 108.18(8) . 3_655 ?
S3 P1 S2 111.03(13) . . ?


_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.919486
2 0.080514

####################################################################### 
# 
# 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_a
_database_code_depnum_ccdc_archive 'CCDC 2539220'
loop_
_audit_author_name
_audit_author_address
'Sheng-Ping Guo'
;Yunnan University
China
;
_audit_update_record             
;
2026-03-19 deposited with the CCDC.	2026-05-22 downloaded from the CCDC.
;
_audit_creation_date             2026-03-19
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Ag2 Cu P S4'
_chemical_formula_sum            'Ag2 Cu P S4'
_chemical_formula_weight         438.49
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ag Ag -0.8971 1.1015 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           31
_space_group_name_H-M_alt        'P m n 21'
_space_group_name_Hall           'P 2ac -2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y, z+1/2'
'-x, y, z'

_cell_length_a                   7.6668(8)
_cell_length_b                   6.6063(6)
_cell_length_c                   6.3169(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     319.95(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    859
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.6830
_cell_measurement_theta_min      3.0890
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    10.775
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.51886
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.113a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    4.552
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             404
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0317
_diffrn_reflns_av_unetI/netI     0.0281
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            2302
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        24.967
_diffrn_reflns_theta_max         24.967
_diffrn_reflns_theta_min         3.084
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -42.65 141.85   0.50    3.00    --  -14.66  73.75 108.53  369
  2  φ    165.76 310.76   0.50    3.00 143.70 -13.56  73.75    --   290
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  
'Saxi-CrysAlisPro-abstract goniometer imported SAXI images'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0456304000
_diffrn_orient_matrix_UB_12      0.0197288000
_diffrn_orient_matrix_UB_13      0.0954904000
_diffrn_orient_matrix_UB_21      0.0789740000
_diffrn_orient_matrix_UB_22      0.0312106000
_diffrn_orient_matrix_UB_23      0.0486149000
_diffrn_orient_matrix_UB_31      -0.0155714000
_diffrn_orient_matrix_UB_32      0.1007674000
_diffrn_orient_matrix_UB_33      -0.0336746000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.809
_reflns_Friedel_fraction_full    0.978
_reflns_Friedel_fraction_max     0.978
_reflns_number_gt                575
_reflns_number_total             595
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.113a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.113a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.113a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.281
_refine_diff_density_min         -1.444
_refine_diff_density_rms         0.201
_refine_ls_abs_structure_details 
;
 Flack x determined using 250 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.01(2)
_refine_ls_extinction_coef       0.039(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.124
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     44
_refine_ls_number_reflns         595
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0337
_refine_ls_R_factor_gt           0.0318
_refine_ls_restrained_S_all      1.123
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0328P)²+2.2786P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0776
_refine_ls_wR_factor_ref         0.0788
_refine_special_details          ?
_olex2_refinement_description    
;
1. Shared sites
{Cu1, Ag2}
2. Uiso/Uaniso restraints and constraints
Uanis(Cu1) = Uanis(Ag2)
3. Others
 Fixed Sof: Cu1(0.5) Ag2(0.5)
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Ag1 Ag 0.500000 0.6483(3) 0.4320(4) 0.0555(7) Uani 1 2 d S T P A .
Cu1 Cu 0.76729(17) 0.19603(18) 0.40204(18) 0.0381(5) Uani 0.5 1 d . . P A 1
S1 S 0.500000 0.2945(7) 0.5913(7) 0.0198(10) Uani 1 2 d S T P . .
P1 P 1.000000 0.6939(5) 0.4196(8) 0.0120(8) Uani 1 2 d S T P A .
S2 S 0.7816(4) 0.8418(6) 0.5253(6) 0.0312(8) Uani 1 1 d . . . . .
S3 S 1.000000 0.4019(9) 0.5276(9) 0.0412(14) Uani 1 2 d S T P . .
Ag2 Ag 0.76729(17) 0.19603(18) 0.40204(18) 0.0381(5) Uani 0.5 1 d . . P A 2


_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
Ag1 S1 2.544(5) . ?
Ag1 S2 2.577(4) 4_655 ?
Ag1 S2 2.577(4) . ?
Ag1 S3 2.576(6) 2_664 ?
Cu1 S1 2.460(3) . ?
Cu1 S2 2.422(4) 2_664 ?
Cu1 S2 2.469(4) 1_545 ?
Cu1 S3 2.380(5) . ?
S1 P1 2.076(7) 2_665 ?
S1 Ag2 2.460(3) . ?
P1 S2 2.050(4) 4_755 ?
P1 S2 2.050(4) . ?
P1 S3 2.046(6) . ?
S3 Ag2 2.380(5) . ?

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
S1 Ag1 S2 111.41(11) . 4_655 ?
S1 Ag1 S2 111.41(11) . . ?
S1 Ag1 S3 105.90(19) . 2_664 ?
S2 Ag1 S2 113.79(17) 4_655 . ?
S3 Ag1 S2 106.91(11) 2_664 4_655 ?
S3 Ag1 S2 106.91(11) 2_664 . ?
S1 Cu1 S2 97.73(14) . 1_545 ?
S2 Cu1 S1 112.07(13) 2_664 . ?
S2 Cu1 S2 102.66(11) 2_664 1_545 ?
S3 Cu1 S1 108.14(16) . . ?
S3 Cu1 S2 113.79(15) . 1_545 ?
S3 Cu1 S2 120.16(18) . 2_664 ?
Cu1 S1 Ag1 92.91(13) 4_655 . ?
Cu1 S1 Ag1 92.91(13) . . ?
Cu1 S1 Cu1 112.82(18) 4_655 . ?
P1 S1 Ag1 111.2(2) 2_665 . ?
P1 S1 Cu1 119.69(12) 2_665 4_655 ?
P1 S1 Cu1 119.69(12) 2_665 . ?
P1 S1 Ag2 119.69(12) 2_665 . ?
Ag2 S1 Ag1 92.91(13) . . ?
S2 P1 S1 107.9(2) . 2_664 ?
S2 P1 S1 107.9(2) 4_755 2_664 ?
S2 P1 S2 109.5(3) 4_755 . ?
S3 P1 S1 111.6(3) . 2_664 ?
S3 P1 S2 109.9(2) . . ?
S3 P1 S2 109.9(2) . 4_755 ?
Cu1 S2 Ag1 111.14(13) 1_565 . ?
Cu1 S2 Ag1 92.53(13) 2_665 . ?
Cu1 S2 Cu1 113.63(14) 2_665 1_565 ?
P1 S2 Ag1 111.92(18) . . ?
P1 S2 Cu1 113.4(2) . 2_665 ?
P1 S2 Cu1 112.7(2) . 1_565 ?
Cu1 S3 Ag1 104.89(16) 4_755 2_665 ?
Cu1 S3 Ag1 104.89(16) . 2_665 ?
Cu1 S3 Cu1 97.1(2) . 4_755 ?
P1 S3 Ag1 116.9(3) . 2_665 ?
P1 S3 Cu1 115.33(19) . . ?
P1 S3 Cu1 115.33(19) . 4_755 ?
P1 S3 Ag2 115.33(19) . . ?
S1 Ag2 S2 97.73(14) . 1_545 ?
S2 Ag2 S1 112.07(13) 2_664 . ?
S2 Ag2 S2 102.66(11) 2_664 1_545 ?
S3 Ag2 S1 108.14(16) . . ?
S3 Ag2 S2 120.16(18) . 2_664 ?
S3 Ag2 S2 113.79(15) . 1_545 ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.347
_oxdiff_exptl_absorpt_empirical_full_min 0.771
