#------------------------------------------------------------------------------
#$Date: 2025-03-04 22:21:29 +0200 (Tue, 04 Mar 2025) $
#$Revision: 298279 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/76/7717677.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7717677
loop_
_publ_author_name
'Barman, Sayani'
'Yadav, Sweta'
'Ray, Akshay K.'
'Swati, ?'
'Deepa, M.'
'Niranjan, Manish K.'
'Prakash, Jai'
_publ_section_title
;
 Sr₃Zr₂Cu₄Q₉ (Q
 = S and Se): two novel layered quaternary mixed transition metal
 chalcogenides.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1871
_journal_page_last               1883
_journal_paper_doi               10.1039/d4dt02928c
_journal_volume                  54
_journal_year                    2025
_chemical_formula_sum            'Cu4 S9 Sr3 Zr2'
_chemical_formula_weight         988.00
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2024-10-14 deposited with the CCDC.	2024-12-03 downloaded from the CCDC.
;
_cell_angle_alpha                109.49(3)
_cell_angle_beta                 104.54(3)
_cell_angle_gamma                96.73(3)
_cell_formula_units_Z            2
_cell_length_a                   6.6907(13)
_cell_length_b                   10.312(2)
_cell_length_c                   11.929(2)
_cell_measurement_reflns_used    4507
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.6
_cell_measurement_theta_min      1.9
_cell_volume                     732.6(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_unetI/netI     0.0402
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4507
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.608
_diffrn_reflns_theta_min         1.905
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    19.124
_exptl_absorpt_correction_T_max  0.433005
_exptl_absorpt_correction_T_min  0.201114
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    4.479
_exptl_crystal_description       irregular
_exptl_crystal_F_000             908
_exptl_crystal_size_max          0.078
_exptl_crystal_size_mid          0.064
_exptl_crystal_size_min          0.057
_refine_diff_density_max         7.205
_refine_diff_density_min         -2.127
_refine_diff_density_rms         0.416
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     164
_refine_ls_number_reflns         4507
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          0.0578
_refine_ls_R_factor_gt           0.0474
_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)+(0.0574P)²+6.3137P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1177
_refine_ls_wR_factor_ref         0.1239
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3824
_reflns_number_total             4507
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt02928c2.cif
_cod_data_source_block           Sr3Zr2Cu4S9
_cod_depositor_comments
'Adding full bibliography for 7717677--7717678.cif.'
_cod_database_code               7717677
_shelx_shelxl_version_number     2017/1
_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.
;
_exptl_absorpt_special_details   SADABS-2016/2
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
Sr1 Sr 0.02289(12) 0.28554(8) 0.51275(8) 0.01222(15) Uani 1 1 d . . . . .
Sr2 Sr 0.31226(11) 0.24359(8) 0.83113(7) 0.01079(15) Uani 1 1 d . . . . .
Sr3 Sr 0.65550(12) 0.22878(8) 0.15896(8) 0.01431(16) Uani 1 1 d . . . . .
Zr1 Zr 0.15760(11) 0.48816(7) 0.16002(7) 0.00766(14) Uani 1 1 d . . . . .
Zr2 Zr 0.33865(11) 0.01423(7) 0.34348(7) 0.00718(14) Uani 1 1 d . . . . .
Cu1 Cu 0.13492(19) 0.06372(14) 0.12061(12) 0.0228(3) Uani 1 1 d . . . . .
Cu2 Cu 0.14085(16) 0.75657(10) 0.08159(11) 0.0141(2) Uani 1 1 d . . . . .
Cu3 Cu 0.38946(18) 0.42707(14) 0.37034(12) 0.0232(3) Uani 1 1 d . . . . .
Cu4 Cu 0.54004(16) 0.25993(11) 0.59811(11) 0.0149(2) Uani 1 1 d . . . . .
S1 S 0.0449(3) 0.4329(2) 0.32921(18) 0.0086(3) Uani 1 1 d . . . . .
S2 S 0.1314(3) 0.74945(18) 0.2769(2) 0.0075(3) Uani 1 1 d . . . . .
S3 S 0.1810(3) 0.23431(19) 0.0458(2) 0.0102(3) Uani 1 1 d . . . . .
S4 S 0.3007(3) 0.05853(18) 0.56325(19) 0.0085(3) Uani 1 1 d . . . . .
S5 S 0.4108(3) 0.94792(19) 0.12704(17) 0.0082(3) Uani 1 1 d . . . . .
S6 S 0.5537(3) 0.5469(2) 0.27355(18) 0.0096(4) Uani 1 1 d . . . . .
S7 S 0.5563(3) 0.2616(2) 0.4062(2) 0.0105(3) Uani 1 1 d . . . . .
S8 S 0.7594(3) 0.44509(18) 0.02277(19) 0.0080(3) Uani 1 1 d . . . . .
S9 S 0.9856(3) 0.0653(2) 0.26874(18) 0.0094(3) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cu Cu 0.3201 1.2651 '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'
Sr Sr -1.5307 3.2498 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zr Zr -2.9673 0.5597 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
S9 Sr1 S7 85.89(7) 1_455 1_455 ?
S9 Sr1 S1 152.00(6) 1_455 2_566 ?
S7 Sr1 S1 76.92(7) 1_455 2_566 ?
S9 Sr1 S2 127.92(6) 1_455 2_566 ?
S7 Sr1 S2 79.64(6) 1_455 2_566 ?
S1 Sr1 S2 70.81(5) 2_566 2_566 ?
S9 Sr1 S1 72.40(6) 1_455 . ?
S7 Sr1 S1 81.88(6) 1_455 . ?
S1 Sr1 S1 83.29(6) 2_566 . ?
S2 Sr1 S1 150.94(6) 2_566 . ?
S9 Sr1 S6 125.66(6) 1_455 2_666 ?
S7 Sr1 S6 147.67(6) 1_455 2_666 ?
S1 Sr1 S6 71.28(6) 2_566 2_666 ?
S2 Sr1 S6 84.51(6) 2_566 2_666 ?
S1 Sr1 S6 99.81(6) . 2_666 ?
S9 Sr1 S4 71.32(6) 1_455 . ?
S7 Sr1 S4 132.73(6) 1_455 . ?
S1 Sr1 S4 136.15(6) 2_566 . ?
S2 Sr1 S4 82.80(6) 2_566 . ?
S1 Sr1 S4 125.99(6) . . ?
S6 Sr1 S4 71.89(6) 2_666 . ?
S9 Sr1 Cu4 85.52(6) 1_455 . ?
S7 Sr1 Cu4 170.80(5) 1_455 . ?
S1 Sr1 Cu4 112.28(6) 2_566 . ?
S2 Sr1 Cu4 103.18(5) 2_566 . ?
S1 Sr1 Cu4 98.63(5) . . ?
S6 Sr1 Cu4 41.44(5) 2_666 . ?
S4 Sr1 Cu4 40.41(4) . . ?
S9 Sr1 S4 63.57(6) 1_455 2_556 ?
S7 Sr1 S4 65.96(6) 1_455 2_556 ?
S1 Sr1 S4 125.70(5) 2_566 2_556 ?
S2 Sr1 S4 64.82(6) 2_566 2_556 ?
S1 Sr1 S4 126.06(6) . 2_556 ?
S6 Sr1 S4 130.58(6) 2_666 2_556 ?
S4 Sr1 S4 66.82(6) . 2_556 ?
Cu4 Sr1 S4 107.05(5) . 2_556 ?
S9 Sr1 Cu4 113.02(6) 1_455 1_455 ?
S7 Sr1 Cu4 39.64(5) 1_455 1_455 ?
S1 Sr1 Cu4 65.82(5) 2_566 1_455 ?
S2 Sr1 Cu4 40.19(5) 2_566 1_455 ?
S1 Sr1 Cu4 116.90(5) . 1_455 ?
S6 Sr1 Cu4 117.75(5) 2_666 1_455 ?
S4 Sr1 Cu4 113.53(5) . 1_455 ?
Cu4 Sr1 Cu4 143.21(5) . 1_455 ?
S4 Sr1 Cu4 60.22(4) 2_556 1_455 ?
S9 Sr1 Cu3 71.40(5) 1_455 . ?
S7 Sr1 Cu3 118.29(5) 1_455 . ?
S1 Sr1 Cu3 97.39(5) 2_566 . ?
S2 Sr1 Cu3 156.58(5) 2_566 . ?
S1 Sr1 Cu3 36.94(4) . . ?
S6 Sr1 Cu3 72.39(5) 2_666 . ?
S4 Sr1 Cu3 93.40(4) . . ?
Cu4 Sr1 Cu3 61.68(3) . . ?
S4 Sr1 Cu3 134.48(5) 2_556 . ?
Cu4 Sr1 Cu3 152.87(4) 1_455 . ?
S9 Sr1 Sr2 120.12(5) 1_455 . ?
S7 Sr1 Sr2 126.50(5) 1_455 . ?
S1 Sr1 Sr2 87.86(5) 2_566 . ?
S2 Sr1 Sr2 47.08(4) 2_566 . ?
S1 Sr1 Sr2 147.35(5) . . ?
S6 Sr1 Sr2 47.75(4) 2_666 . ?
S4 Sr1 Sr2 49.34(4) . . ?
Cu4 Sr1 Sr2 56.20(3) . . ?
S4 Sr1 Sr2 84.20(5) 2_556 . ?
Cu4 Sr1 Sr2 87.27(4) 1_455 . ?
Cu3 Sr1 Sr2 114.35(4) . . ?
S3 Sr2 S5 88.15(6) 1_556 2_666 ?
S3 Sr2 S2 84.72(6) 1_556 2_566 ?
S5 Sr2 S2 142.66(6) 2_666 2_566 ?
S3 Sr2 S6 139.76(6) 1_556 2_666 ?
S5 Sr2 S6 118.59(6) 2_666 2_666 ?
S2 Sr2 S6 88.93(6) 2_566 2_666 ?
S3 Sr2 S4 142.82(6) 1_556 . ?
S5 Sr2 S4 76.46(6) 2_666 . ?
S2 Sr2 S4 87.50(7) 2_566 . ?
S6 Sr2 S4 76.15(6) 2_666 . ?
S3 Sr2 S9 75.53(6) 1_556 2_656 ?
S5 Sr2 S9 72.86(6) 2_666 2_656 ?
S2 Sr2 S9 69.86(6) 2_566 2_656 ?
S6 Sr2 S9 138.24(6) 2_666 2_656 ?
S4 Sr2 S9 67.67(6) . 2_656 ?
S3 Sr2 S8 89.07(6) 1_556 1_556 ?
S5 Sr2 S8 74.45(6) 2_666 1_556 ?
S2 Sr2 S8 141.77(5) 2_566 1_556 ?
S6 Sr2 S8 72.01(6) 2_666 1_556 ?
S4 Sr2 S8 117.95(6) . 1_556 ?
S9 Sr2 S8 144.11(6) 2_656 1_556 ?
S3 Sr2 S8 72.30(6) 1_556 2_666 ?
S5 Sr2 S8 139.71(6) 2_666 2_666 ?
S2 Sr2 S8 71.71(6) 2_566 2_666 ?
S6 Sr2 S8 67.99(5) 2_666 2_666 ?
S4 Sr2 S8 138.33(6) . 2_666 ?
S9 Sr2 S8 131.35(5) 2_656 2_666 ?
S8 Sr2 S8 70.46(6) 1_556 2_666 ?
S3 Sr2 Cu2 42.02(5) 1_556 2_566 ?
S5 Sr2 Cu2 121.02(5) 2_666 2_566 ?
S2 Sr2 Cu2 42.70(5) 2_566 2_566 ?
S6 Sr2 Cu2 120.27(5) 2_666 2_566 ?
S4 Sr2 Cu2 121.08(6) . 2_566 ?
S9 Sr2 Cu2 66.60(5) 2_656 2_566 ?
S8 Sr2 Cu2 120.93(5) 1_556 2_566 ?
S8 Sr2 Cu2 65.01(5) 2_666 2_566 ?
S3 Sr2 Cu4 172.30(5) 1_556 . ?
S5 Sr2 Cu4 86.34(5) 2_666 . ?
S2 Sr2 Cu4 102.91(5) 2_566 . ?
S6 Sr2 Cu4 40.90(5) 2_666 . ?
S4 Sr2 Cu4 40.22(4) . . ?
S9 Sr2 Cu4 107.85(5) 2_656 . ?
S8 Sr2 Cu4 84.28(5) 1_556 . ?
S8 Sr2 Cu4 108.87(5) 2_666 . ?
Cu2 Sr2 Cu4 145.60(4) 2_566 . ?
S3 Sr2 Cu2 104.44(6) 1_556 2_666 ?
S5 Sr2 Cu2 40.72(4) 2_666 2_666 ?
S2 Sr2 Cu2 170.79(5) 2_566 2_666 ?
S6 Sr2 Cu2 83.43(5) 2_666 2_666 ?
S4 Sr2 Cu2 85.69(6) . 2_666 ?
S9 Sr2 Cu2 112.95(5) 2_656 2_666 ?
S8 Sr2 Cu2 39.52(4) 1_556 2_666 ?
S8 Sr2 Cu2 109.80(6) 2_666 2_666 ?
Cu2 Sr2 Cu2 146.44(5) 2_566 2_666 ?
Cu4 Sr2 Cu2 67.91(4) . 2_666 ?
S3 Sr2 Sr1 133.89(5) 1_556 . ?
S5 Sr2 Sr1 129.36(5) 2_666 . ?
S2 Sr2 Sr1 49.36(5) 2_566 . ?
S6 Sr2 Sr1 50.79(5) 2_666 . ?
S4 Sr2 Sr1 53.08(4) . . ?
S9 Sr2 Sr1 89.82(5) 2_656 . ?
S8 Sr2 Sr1 122.79(5) 1_556 . ?
S8 Sr2 Sr1 87.11(5) 2_666 . ?
Cu2 Sr2 Sr1 91.95(4) 2_566 . ?
Cu4 Sr2 Sr1 53.65(3) . . ?
Cu2 Sr2 Sr1 121.43(4) 2_666 . ?
S1 Sr3 S5 137.96(6) 1_655 1_545 ?
S1 Sr3 S7 82.76(6) 1_655 . ?
S5 Sr3 S7 72.13(6) 1_545 . ?
S1 Sr3 S3 137.06(6) 1_655 . ?
S5 Sr3 S3 75.74(6) 1_545 . ?
S7 Sr3 S3 87.06(6) . . ?
S1 Sr3 S5 123.85(6) 1_655 2_665 ?
S5 Sr3 S5 78.95(7) 1_545 2_665 ?
S7 Sr3 S5 150.59(6) . 2_665 ?
S3 Sr3 S5 80.70(6) . 2_665 ?
S1 Sr3 S9 70.90(6) 1_655 . ?
S5 Sr3 S9 71.96(6) 1_545 . ?
S7 Sr3 S9 80.18(6) . . ?
S3 Sr3 S9 147.54(6) . . ?
S5 Sr3 S9 96.07(6) 2_665 . ?
S1 Sr3 S8 73.67(6) 1_655 . ?
S5 Sr3 S8 146.38(6) 1_545 . ?
S7 Sr3 S8 134.73(6) . . ?
S3 Sr3 S8 84.90(6) . . ?
S5 Sr3 S8 70.88(5) 2_665 . ?
S9 Sr3 S8 124.83(5) . . ?
S1 Sr3 S6 69.93(6) 1_655 . ?
S5 Sr3 S6 128.75(6) 1_545 . ?
S7 Sr3 S6 71.79(6) . . ?
S3 Sr3 S6 67.26(6) . . ?
S5 Sr3 S6 125.80(6) 2_665 . ?
S9 Sr3 S6 133.94(6) . . ?
S8 Sr3 S6 64.02(5) . . ?
S1 Sr3 Cu2 85.79(5) 1_655 2_665 ?
S5 Sr3 Cu2 117.57(6) 1_545 2_665 ?
S7 Sr3 Cu2 168.54(5) . 2_665 ?
S3 Sr3 Cu2 100.99(5) . 2_665 ?
S5 Sr3 Cu2 40.34(4) 2_665 2_665 ?
S9 Sr3 Cu2 96.67(5) . 2_665 ?
S8 Sr3 Cu2 39.62(4) . 2_665 ?
S6 Sr3 Cu2 103.63(5) . 2_665 ?
S1 Sr3 Cu1 146.78(5) 1_655 . ?
S5 Sr3 Cu1 40.34(5) 1_545 . ?
S7 Sr3 Cu1 65.11(5) . . ?
S3 Sr3 Cu1 38.72(4) . . ?
S5 Sr3 Cu1 89.36(6) 2_665 . ?
S9 Sr3 Cu1 109.43(5) . . ?
S8 Sr3 Cu1 123.21(5) . . ?
S6 Sr3 Cu1 91.16(5) . . ?
Cu2 Sr3 Cu1 126.08(5) 2_665 . ?
S1 Sr3 Cu3 86.23(5) 1_655 . ?
S5 Sr3 Cu3 93.21(5) 1_545 . ?
S7 Sr3 Cu3 37.65(4) . . ?
S3 Sr3 Cu3 61.83(5) . . ?
S5 Sr3 Cu3 142.45(5) 2_665 . ?
S9 Sr3 Cu3 116.51(5) . . ?
S8 Sr3 Cu3 101.61(4) . . ?
S6 Sr3 Cu3 38.25(4) . . ?
Cu2 Sr3 Cu3 140.91(4) 2_665 . ?
Cu1 Sr3 Cu3 63.43(5) . . ?
S1 Sr3 Cu1 70.79(5) 1_655 1_655 ?
S5 Sr3 Cu1 89.63(5) 1_545 1_655 ?
S7 Sr3 Cu1 114.90(5) . 1_655 ?
S3 Sr3 Cu1 148.76(5) . 1_655 ?
S5 Sr3 Cu1 69.35(5) 2_665 1_655 ?
S9 Sr3 Cu1 35.36(4) . 1_655 ?
S8 Sr3 Cu1 93.25(4) . 1_655 ?
S6 Sr3 Cu1 138.76(5) . 1_655 ?
Cu2 Sr3 Cu1 61.31(3) 2_665 1_655 ?
Cu1 Sr3 Cu1 129.41(5) . 1_655 ?
Cu3 Sr3 Cu1 147.92(4) . 1_655 ?
S1 Zr1 S6 95.48(7) . . ?
S1 Zr1 S3 93.81(7) . . ?
S6 Zr1 S3 89.14(8) . . ?
S1 Zr1 S2 86.21(7) . . ?
S6 Zr1 S2 91.16(8) . . ?
S3 Zr1 S2 179.70(7) . . ?
S1 Zr1 S8 91.99(7) . 1_455 ?
S6 Zr1 S8 172.20(7) . 1_455 ?
S3 Zr1 S8 92.63(8) . 1_455 ?
S2 Zr1 S8 87.06(7) . 1_455 ?
S1 Zr1 S8 174.33(7) . 2_665 ?
S6 Zr1 S8 89.38(7) . 2_665 ?
S3 Zr1 S8 89.18(7) . 2_665 ?
S2 Zr1 S8 90.78(6) . 2_665 ?
S8 Zr1 S8 83.05(6) 1_455 2_665 ?
S1 Zr1 Cu3 48.23(5) . . ?
S6 Zr1 Cu3 49.62(5) . . ?
S3 Zr1 Cu3 79.94(7) . . ?
S2 Zr1 Cu3 100.29(7) . . ?
S8 Zr1 Cu3 138.18(6) 1_455 . ?
S8 Zr1 Cu3 137.24(5) 2_665 . ?
S1 Zr1 Cu2 101.78(6) . 2_565 ?
S6 Zr1 Cu2 133.53(6) . 2_565 ?
S3 Zr1 Cu2 47.29(6) . 2_565 ?
S2 Zr1 Cu2 132.41(6) . 2_565 ?
S8 Zr1 Cu2 46.30(5) 1_455 2_565 ?
S8 Zr1 Cu2 76.76(5) 2_665 2_565 ?
Cu3 Zr1 Cu2 120.08(5) . 2_565 ?
S1 Zr1 Cu4 79.17(6) . 2_666 ?
S6 Zr1 Cu4 46.72(6) . 2_666 ?
S3 Zr1 Cu4 133.38(6) . 2_666 ?
S2 Zr1 Cu4 46.92(6) . 2_666 ?
S8 Zr1 Cu4 133.26(6) 1_455 2_666 ?
S8 Zr1 Cu4 102.23(5) 2_665 2_666 ?
Cu3 Zr1 Cu4 60.99(4) . 2_666 ?
Cu2 Zr1 Cu4 178.88(4) 2_565 2_666 ?
S1 Zr1 Cu2 130.83(6) . . ?
S6 Zr1 Cu2 98.02(6) . . ?
S3 Zr1 Cu2 133.29(6) . . ?
S2 Zr1 Cu2 46.61(5) . . ?
S8 Zr1 Cu2 75.28(5) 1_455 . ?
S8 Zr1 Cu2 45.17(5) 2_665 . ?
Cu3 Zr1 Cu2 137.38(5) . . ?
Cu2 Zr1 Cu2 102.26(4) 2_565 . ?
Cu4 Zr1 Cu2 76.65(4) 2_666 . ?
S1 Zr1 Sr3 46.17(5) . 1_455 ?
S6 Zr1 Sr3 133.70(5) . 1_455 ?
S3 Zr1 Sr3 72.33(5) . 1_455 ?
S2 Zr1 Sr3 107.48(5) . 1_455 ?
S8 Zr1 Sr3 53.94(5) 1_455 1_455 ?
S8 Zr1 Sr3 130.86(6) 2_665 1_455 ?
Cu3 Zr1 Sr3 84.92(4) . 1_455 ?
Cu2 Zr1 Sr3 57.03(4) 2_565 1_455 ?
Cu4 Zr1 Sr3 123.79(4) 2_666 1_455 ?
Cu2 Zr1 Sr3 125.78(4) . 1_455 ?
S1 Zr1 Sr2 132.61(6) . 2_666 ?
S6 Zr1 Sr2 44.96(5) . 2_666 ?
S3 Zr1 Sr2 107.54(6) . 2_666 ?
S2 Zr1 Sr2 72.65(5) . 2_666 ?
S8 Zr1 Sr2 127.41(5) 1_455 2_666 ?
S8 Zr1 Sr2 50.42(5) 2_665 2_666 ?
Cu3 Zr1 Sr2 93.70(4) . 2_666 ?
Cu2 Zr1 Sr2 123.95(4) 2_565 2_666 ?
Cu4 Zr1 Sr2 55.26(4) 2_666 2_666 ?
Cu2 Zr1 Sr2 55.34(3) . 2_666 ?
Sr3 Zr1 Sr2 178.62(2) 1_455 2_666 ?
S9 Zr2 S7 96.79(7) 1_455 . ?
S9 Zr2 S4 91.61(7) 1_455 . ?
S7 Zr2 S4 94.37(7) . . ?
S9 Zr2 S5 95.18(7) 1_455 1_545 ?
S7 Zr2 S5 88.10(7) . 1_545 ?
S4 Zr2 S5 172.45(6) . 1_545 ?
S9 Zr2 S2 86.36(7) 1_455 1_545 ?
S7 Zr2 S2 176.61(6) . 1_545 ?
S4 Zr2 S2 86.78(7) . 1_545 ?
S5 Zr2 S2 90.37(7) 1_545 1_545 ?
S9 Zr2 S4 173.36(7) 1_455 2_656 ?
S7 Zr2 S4 88.17(7) . 2_656 ?
S4 Zr2 S4 83.59(6) . 2_656 ?
S5 Zr2 S4 89.37(7) 1_545 2_656 ?
S2 Zr2 S4 88.79(7) 1_545 2_656 ?
S9 Zr2 Cu1 48.19(6) 1_455 . ?
S7 Zr2 Cu1 82.14(7) . . ?
S4 Zr2 Cu1 138.29(5) . . ?
S5 Zr2 Cu1 49.11(5) 1_545 . ?
S2 Zr2 Cu1 99.13(7) 1_545 . ?
S4 Zr2 Cu1 137.38(6) 2_656 . ?
S9 Zr2 Cu4 102.18(6) 1_455 . ?
S7 Zr2 Cu4 47.69(6) . . ?
S4 Zr2 Cu4 47.26(5) . . ?
S5 Zr2 Cu4 133.67(5) 1_545 . ?
S2 Zr2 Cu4 132.90(6) 1_545 . ?
S4 Zr2 Cu4 77.91(6) 2_656 . ?
Cu1 Zr2 Cu4 121.17(5) . . ?
S9 Zr2 Cu2 79.32(6) 1_455 1_545 ?
S7 Zr2 Cu2 132.48(6) . 1_545 ?
S4 Zr2 Cu2 132.82(5) . 1_545 ?
S5 Zr2 Cu2 45.97(5) 1_545 1_545 ?
S2 Zr2 Cu2 46.81(6) 1_545 1_545 ?
S4 Zr2 Cu2 100.58(6) 2_656 1_545 ?
Cu1 Zr2 Cu2 59.94(4) . 1_545 ?
Cu4 Zr2 Cu2 178.50(4) . 1_545 ?
S9 Zr2 Cu4 129.92(6) 1_455 2_656 ?
S7 Zr2 Cu4 131.85(6) . 2_656 ?
S4 Zr2 Cu4 75.80(5) . 2_656 ?
S5 Zr2 Cu4 97.25(5) 1_545 2_656 ?
S2 Zr2 Cu4 45.40(5) 1_545 2_656 ?
S4 Zr2 Cu4 44.37(5) 2_656 2_656 ?
Cu1 Zr2 Cu4 135.24(5) . 2_656 ?
Cu4 Zr2 Cu4 103.35(4) . 2_656 ?
Cu2 Zr2 Cu4 75.47(4) 1_545 2_656 ?
S9 Zr2 Sr1 47.38(5) 1_455 . ?
S7 Zr2 Sr1 73.15(5) . . ?
S4 Zr2 Sr1 54.30(5) . . ?
S5 Zr2 Sr1 133.21(5) 1_545 . ?
S2 Zr2 Sr1 110.04(5) 1_545 . ?
S4 Zr2 Sr1 130.97(5) 2_656 . ?
Cu1 Zr2 Sr1 85.42(4) . . ?
Cu4 Zr2 Sr1 55.80(3) . . ?
Cu2 Zr2 Sr1 125.65(4) 1_545 . ?
Cu4 Zr2 Sr1 127.35(3) 2_656 . ?
S9 Zr2 Sr2 133.48(6) 1_455 2_656 ?
S7 Zr2 Sr2 103.31(5) . 2_656 ?
S4 Zr2 Sr2 127.41(5) . 2_656 ?
S5 Zr2 Sr2 45.05(5) 1_545 2_656 ?
S2 Zr2 Sr2 73.52(5) 1_545 2_656 ?
S4 Zr2 Sr2 48.70(5) 2_656 2_656 ?
Cu1 Zr2 Sr2 93.46(4) . 2_656 ?
Cu4 Zr2 Sr2 122.39(4) . 2_656 ?
Cu2 Zr2 Sr2 56.19(3) 1_545 2_656 ?
Cu4 Zr2 Sr2 55.50(3) 2_656 2_656 ?
Sr1 Zr2 Sr2 176.40(2) . 2_656 ?
S9 Cu1 S3 127.35(9) 1_455 . ?
S9 Cu1 S5 112.38(8) 1_455 1_545 ?
S3 Cu1 S5 111.83(9) . 1_545 ?
S9 Cu1 Cu1 114.83(9) 1_455 2 ?
S3 Cu1 Cu1 78.48(8) . 2 ?
S5 Cu1 Cu1 105.46(9) 1_545 2 ?
S9 Cu1 Zr2 56.15(6) 1_455 . ?
S3 Cu1 Zr2 136.42(9) . . ?
S5 Cu1 Zr2 59.14(6) 1_545 . ?
Cu1 Cu1 Zr2 144.05(8) 2 . ?
S9 Cu1 Cu2 86.20(7) 1_455 1_545 ?
S3 Cu1 Cu2 145.75(8) . 1_545 ?
S5 Cu1 Cu2 49.07(6) 1_545 1_545 ?
Cu1 Cu1 Cu2 80.83(7) 2 1_545 ?
Zr2 Cu1 Cu2 64.57(5) . 1_545 ?
S9 Cu1 Sr3 128.18(8) 1_455 . ?
S3 Cu1 Sr3 60.93(7) . . ?
S5 Cu1 Sr3 57.39(6) 1_545 . ?
Cu1 Cu1 Sr3 116.76(7) 2 . ?
Zr2 Cu1 Sr3 83.75(5) . . ?
Cu2 Cu1 Sr3 106.30(5) 1_545 . ?
S9 Cu1 Sr3 56.35(6) 1_455 1_455 ?
S3 Cu1 Sr3 78.82(6) . 1_455 ?
S5 Cu1 Sr3 168.61(6) 1_545 1_455 ?
Cu1 Cu1 Sr3 80.09(6) 2 1_455 ?
Zr2 Cu1 Sr3 110.56(4) . 1_455 ?
Cu2 Cu1 Sr3 123.87(5) 1_545 1_455 ?
Sr3 Cu1 Sr3 129.42(5) . 1_455 ?
S8 Cu2 S5 107.53(8) 2_665 . ?
S8 Cu2 S3 108.44(9) 2_665 2_565 ?
S5 Cu2 S3 112.56(8) . 2_565 ?
S8 Cu2 S2 107.24(8) 2_665 . ?
S5 Cu2 S2 106.15(9) . . ?
S3 Cu2 S2 114.59(8) 2_565 . ?
S8 Cu2 Cu1 146.90(7) 2_665 1_565 ?
S5 Cu2 Cu1 48.68(6) . 1_565 ?
S3 Cu2 Cu1 71.14(7) 2_565 1_565 ?
S2 Cu2 Cu1 102.31(6) . 1_565 ?
S8 Cu2 Zr1 56.05(6) 2_665 2_565 ?
S5 Cu2 Zr1 136.00(7) . 2_565 ?
S3 Cu2 Zr1 53.66(6) 2_565 2_565 ?
S2 Cu2 Zr1 117.58(6) . 2_565 ?
Cu1 Cu2 Zr1 120.86(5) 1_565 2_565 ?
S8 Cu2 Zr2 135.63(7) 2_665 1_565 ?
S5 Cu2 Zr2 54.26(6) . 1_565 ?
S3 Cu2 Zr2 115.92(7) 2_565 1_565 ?
S2 Cu2 Zr2 55.11(5) . 1_565 ?
Cu1 Cu2 Zr2 55.49(4) 1_565 1_565 ?
Zr1 Cu2 Zr2 165.80(4) 2_565 1_565 ?
S8 Cu2 Zr1 54.66(5) 2_665 . ?
S5 Cu2 Zr1 129.50(7) . . ?
S3 Cu2 Zr1 117.91(7) 2_565 . ?
S2 Cu2 Zr1 53.93(5) . . ?
Cu1 Cu2 Zr1 156.15(5) 1_565 . ?
Zr1 Cu2 Zr1 77.74(4) 2_565 . ?
Zr2 Cu2 Zr1 102.62(4) 1_565 . ?
S8 Cu2 Sr2 124.06(6) 2_665 2_566 ?
S5 Cu2 Sr2 128.24(6) . 2_566 ?
S3 Cu2 Sr2 57.25(6) 2_565 2_566 ?
S2 Cu2 Sr2 57.34(6) . 2_566 ?
Cu1 Cu2 Sr2 84.59(4) 1_565 2_566 ?
Zr1 Cu2 Sr2 82.71(4) 2_565 2_566 ?
Zr2 Cu2 Sr2 83.24(5) 1_565 2_566 ?
Zr1 Cu2 Sr2 83.24(4) . 2_566 ?
S8 Cu2 Sr3 64.69(6) 2_665 2_665 ?
S5 Cu2 Sr3 61.99(6) . 2_665 ?
S3 Cu2 Sr3 85.80(6) 2_565 2_665 ?
S2 Cu2 Sr3 159.57(7) . 2_665 ?
Cu1 Cu2 Sr3 82.46(4) 1_565 2_665 ?
Zr1 Cu2 Sr3 74.74(4) 2_565 2_665 ?
Zr2 Cu2 Sr3 116.23(4) 1_565 2_665 ?
Zr1 Cu2 Sr3 118.93(4) . 2_665 ?
Sr2 Cu2 Sr3 143.05(5) 2_566 2_665 ?
S8 Cu2 Sr2 62.88(6) 2_665 2_666 ?
S5 Cu2 Sr2 55.50(6) . 2_666 ?
S3 Cu2 Sr2 156.24(7) 2_565 2_666 ?
S2 Cu2 Sr2 89.12(7) . 2_666 ?
Cu1 Cu2 Sr2 103.59(5) 1_565 2_666 ?
Zr1 Cu2 Sr2 117.91(5) 2_565 2_666 ?
Zr2 Cu2 Sr2 75.55(5) 1_565 2_666 ?
Zr1 Cu2 Sr2 76.53(4) . 2_666 ?
Sr2 Cu2 Sr2 146.44(5) 2_566 2_666 ?
Sr3 Cu2 Sr2 70.47(3) 2_665 2_666 ?
S7 Cu3 S1 130.29(9) . . ?
S7 Cu3 S6 112.03(8) . . ?
S1 Cu3 S6 111.17(8) . . ?
S7 Cu3 Cu3 80.74(8) . 2_666 ?
S1 Cu3 Cu3 110.95(9) . 2_666 ?
S6 Cu3 Cu3 104.24(9) . 2_666 ?
S7 Cu3 Zr1 139.07(8) . . ?
S1 Cu3 Zr1 57.15(6) . . ?
S6 Cu3 Zr1 57.20(6) . . ?
Cu3 Cu3 Zr1 138.63(7) 2_666 . ?
S7 Cu3 Sr3 57.62(6) . . ?
S1 Cu3 Sr3 128.20(8) . . ?
S6 Cu3 Sr3 63.19(6) . . ?
Cu3 Cu3 Sr3 120.44(6) 2_666 . ?
Zr1 Cu3 Sr3 86.05(4) . . ?
S7 Cu3 Sr1 82.17(6) . . ?
S1 Cu3 Sr1 55.37(6) . . ?
S6 Cu3 Sr1 165.71(6) . . ?
Cu3 Cu3 Sr1 78.90(6) 2_666 . ?
Zr1 Cu3 Sr1 111.22(4) . . ?
Sr3 Cu3 Sr1 127.59(4) . . ?
S4 Cu4 S7 108.66(9) . . ?
S4 Cu4 S6 107.91(8) . 2_666 ?
S7 Cu4 S6 116.87(8) . 2_666 ?
S4 Cu4 S2 106.75(8) . 2_666 ?
S7 Cu4 S2 111.82(8) . 2_666 ?
S6 Cu4 S2 104.31(9) 2_666 2_666 ?
S4 Cu4 Zr2 55.25(6) . . ?
S7 Cu4 Zr2 54.16(6) . . ?
S6 Cu4 Zr2 138.41(7) 2_666 . ?
S2 Cu4 Zr2 116.73(7) 2_666 . ?
S4 Cu4 Zr1 134.41(7) . 2_666 ?
S7 Cu4 Zr1 116.89(6) . 2_666 ?
S6 Cu4 Zr1 52.68(6) 2_666 2_666 ?
S2 Cu4 Zr1 54.78(6) 2_666 2_666 ?
Zr2 Cu4 Zr1 166.67(4) . 2_666 ?
S4 Cu4 Zr2 54.45(5) . 2_656 ?
S7 Cu4 Zr2 115.20(7) . 2_656 ?
S6 Cu4 Zr2 127.93(7) 2_666 2_656 ?
S2 Cu4 Zr2 53.65(6) 2_666 2_656 ?
Zr2 Cu4 Zr2 76.65(4) . 2_656 ?
Zr1 Cu4 Zr2 101.67(5) 2_666 2_656 ?
S4 Cu4 Sr1 66.29(6) . . ?
S7 Cu4 Sr1 88.49(7) . . ?
S6 Cu4 Sr1 62.59(6) 2_666 . ?
S2 Cu4 Sr1 159.61(7) 2_666 . ?
Zr2 Cu4 Sr1 76.13(5) . . ?
Zr1 Cu4 Sr1 115.22(5) 2_666 . ?
Zr2 Cu4 Sr1 120.29(4) 2_656 . ?
S4 Cu4 Sr2 59.94(6) . . ?
S7 Cu4 Sr2 158.30(7) . . ?
S6 Cu4 Sr2 57.04(6) 2_666 . ?
S2 Cu4 Sr2 89.68(6) 2_666 . ?
Zr2 Cu4 Sr2 114.39(4) . . ?
Zr1 Cu4 Sr2 77.33(4) 2_666 . ?
Zr2 Cu4 Sr2 74.69(4) 2_656 . ?
Sr1 Cu4 Sr2 70.15(3) . . ?
S4 Cu4 Sr1 128.26(6) . 1_655 ?
S7 Cu4 Sr1 55.58(6) . 1_655 ?
S6 Cu4 Sr1 123.33(7) 2_666 1_655 ?
S2 Cu4 Sr1 56.59(5) 2_666 1_655 ?
Zr2 Cu4 Sr1 86.93(5) . 1_655 ?
Zr1 Cu4 Sr1 79.75(4) 2_666 1_655 ?
Zr2 Cu4 Sr1 85.98(4) 2_656 1_655 ?
Sr1 Cu4 Sr1 143.21(5) . 1_655 ?
Sr2 Cu4 Sr1 146.10(5) . 1_655 ?
Cu3 S1 Zr1 74.62(7) . . ?
Cu3 S1 Sr3 133.58(9) . 1_455 ?
Zr1 S1 Sr3 95.21(7) . 1_455 ?
Cu3 S1 Sr1 111.94(9) . 2_566 ?
Zr1 S1 Sr1 102.81(7) . 2_566 ?
Sr3 S1 Sr1 114.48(7) 1_455 2_566 ?
Cu3 S1 Sr1 87.69(7) . . ?
Zr1 S1 Sr1 157.41(8) . . ?
Sr3 S1 Sr1 86.81(6) 1_455 . ?
Sr1 S1 Sr1 96.71(6) 2_566 . ?
Cu4 S2 Cu2 113.26(8) 2_666 . ?
Cu4 S2 Zr1 78.30(7) 2_666 . ?
Cu2 S2 Zr1 79.46(7) . . ?
Cu4 S2 Zr2 80.95(7) 2_666 1_565 ?
Cu2 S2 Zr2 78.08(7) . 1_565 ?
Zr1 S2 Zr2 140.14(7) . 1_565 ?
Cu4 S2 Sr2 166.77(9) 2_666 2_566 ?
Cu2 S2 Sr2 79.96(8) . 2_566 ?
Zr1 S2 Sr2 104.64(8) . 2_566 ?
Zr2 S2 Sr2 103.32(7) 1_565 2_566 ?
Cu4 S2 Sr1 83.22(7) 2_666 2_566 ?
Cu2 S2 Sr1 162.78(9) . 2_566 ?
Zr1 S2 Sr1 100.09(6) . 2_566 ?
Zr2 S2 Sr1 110.82(7) 1_565 2_566 ?
Sr2 S2 Sr1 83.56(5) 2_566 2_566 ?
Cu1 S3 Cu2 110.69(9) . 2_565 ?
Cu1 S3 Zr1 122.84(9) . . ?
Cu2 S3 Zr1 79.05(7) 2_565 . ?
Cu1 S3 Sr2 132.66(9) . 1_554 ?
Cu2 S3 Sr2 80.73(7) 2_565 1_554 ?
Zr1 S3 Sr2 104.26(7) . 1_554 ?
Cu1 S3 Sr3 80.35(7) . . ?
Cu2 S3 Sr3 164.80(9) 2_565 . ?
Zr1 S3 Sr3 104.18(8) . . ?
Sr2 S3 Sr3 84.09(6) 1_554 . ?
Cu4 S4 Zr2 77.49(7) . . ?
Cu4 S4 Zr2 81.18(7) . 2_656 ?
Zr2 S4 Zr2 96.41(6) . 2_656 ?
Cu4 S4 Sr2 79.84(7) . . ?
Zr2 S4 Sr2 154.90(7) . . ?
Zr2 S4 Sr2 90.60(7) 2_656 . ?
Cu4 S4 Sr1 73.30(6) . . ?
Zr2 S4 Sr1 85.67(6) . . ?
Zr2 S4 Sr1 153.32(7) 2_656 . ?
Sr2 S4 Sr1 77.58(5) . . ?
Cu4 S4 Sr1 171.52(7) . 2_556 ?
Zr2 S4 Sr1 97.16(7) . 2_556 ?
Zr2 S4 Sr1 93.01(6) 2_656 2_556 ?
Sr2 S4 Sr1 106.54(6) . 2_556 ?
Sr1 S4 Sr1 113.18(6) . 2_556 ?
Cu1 S5 Cu2 82.25(8) 1_565 . ?
Cu1 S5 Zr2 71.75(7) 1_565 1_565 ?
Cu2 S5 Zr2 79.77(7) . 1_565 ?
Cu1 S5 Sr2 162.68(8) 1_565 2_666 ?
Cu2 S5 Sr2 83.79(6) . 2_666 ?
Zr2 S5 Sr2 95.73(6) 1_565 2_666 ?
Cu1 S5 Sr3 82.28(7) 1_565 1_565 ?
Cu2 S5 Sr3 163.71(9) . 1_565 ?
Zr2 S5 Sr3 100.14(7) 1_565 1_565 ?
Sr2 S5 Sr3 112.33(7) 2_666 1_565 ?
Cu1 S5 Sr3 103.44(8) 1_565 2_665 ?
Cu2 S5 Sr3 77.67(7) . 2_665 ?
Zr2 S5 Sr3 157.38(7) 1_565 2_665 ?
Sr2 S5 Sr3 83.44(6) 2_666 2_665 ?
Sr3 S5 Sr3 101.05(6) 1_565 2_665 ?
Cu3 S6 Cu4 83.30(8) . 2_666 ?
Cu3 S6 Zr1 73.18(7) . . ?
Cu4 S6 Zr1 80.60(7) 2_666 . ?
Cu3 S6 Sr2 163.99(9) . 2_666 ?
Cu4 S6 Sr2 82.05(7) 2_666 2_666 ?
Zr1 S6 Sr2 98.00(7) . 2_666 ?
Cu3 S6 Sr1 101.20(8) . 2_666 ?
Cu4 S6 Sr1 75.98(7) 2_666 2_666 ?
Zr1 S6 Sr1 156.43(8) . 2_666 ?
Sr2 S6 Sr1 81.46(6) 2_666 2_666 ?
Cu3 S6 Sr3 78.55(7) . . ?
Cu4 S6 Sr3 160.99(8) 2_666 . ?
Zr1 S6 Sr3 99.32(7) . . ?
Sr2 S6 Sr3 116.59(7) 2_666 . ?
Sr1 S6 Sr3 101.95(6) 2_666 . ?
Cu3 S7 Cu4 107.21(9) . . ?
Cu3 S7 Zr2 118.78(9) . . ?
Cu4 S7 Zr2 78.15(7) . . ?
Cu3 S7 Sr1 128.48(8) . 1_655 ?
Cu4 S7 Sr1 84.78(7) . 1_655 ?
Zr2 S7 Sr1 112.68(8) . 1_655 ?
Cu3 S7 Sr3 84.73(7) . . ?
Cu4 S7 Sr3 167.54(9) . . ?
Zr2 S7 Sr3 99.49(8) . . ?
Sr1 S7 Sr3 84.90(6) 1_655 . ?
Cu2 S8 Zr1 77.65(7) 2_665 1_655 ?
Cu2 S8 Zr1 80.17(7) 2_665 2_665 ?
Zr1 S8 Zr1 96.95(6) 1_655 2_665 ?
Cu2 S8 Sr2 77.60(7) 2_665 1_554 ?
Zr1 S8 Sr2 152.59(7) 1_655 1_554 ?
Zr1 S8 Sr2 90.24(7) 2_665 1_554 ?
Cu2 S8 Sr2 170.93(8) 2_665 2_666 ?
Zr1 S8 Sr2 96.36(7) 1_655 2_666 ?
Zr1 S8 Sr2 93.96(6) 2_665 2_666 ?
Sr2 S8 Sr2 109.54(6) 1_554 2_666 ?
Cu2 S8 Sr3 75.70(6) 2_665 . ?
Zr1 S8 Sr3 85.19(6) 1_655 . ?
Zr1 S8 Sr3 154.74(7) 2_665 . ?
Sr2 S8 Sr3 77.47(5) 1_554 . ?
Sr2 S8 Sr3 110.88(6) 2_666 . ?
Cu1 S9 Zr2 75.66(7) 1_655 1_655 ?
Cu1 S9 Sr1 132.34(9) 1_655 1_655 ?
Zr2 S9 Sr1 94.43(7) 1_655 1_655 ?
Cu1 S9 Sr2 105.64(8) 1_655 2_656 ?
Zr2 S9 Sr2 100.40(7) 1_655 2_656 ?
Sr1 S9 Sr2 122.02(7) 1_655 2_656 ?
Cu1 S9 Sr3 88.29(7) 1_655 . ?
Zr2 S9 Sr3 156.45(8) 1_655 . ?
Sr1 S9 Sr3 83.63(6) 1_655 . ?
Sr2 S9 Sr3 100.47(6) 2_656 . ?
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
Sr1 S9 2.964(2) 1_455 ?
Sr1 S7 3.007(2) 1_455 ?
Sr1 S1 3.046(2) 2_566 ?
Sr1 S2 3.051(2) 2_566 ?
Sr1 S1 3.075(2) . ?
Sr1 S6 3.130(3) 2_666 ?
Sr1 S4 3.270(2) . ?
Sr1 Cu4 3.4210(15) . ?
Sr1 S4 3.628(2) 2_556 ?
Sr1 Cu4 3.6297(14) 1_455 ?
Sr1 Cu3 3.7335(17) . ?
Sr1 Sr2 3.9951(16) . ?
Sr2 S3 2.935(2) 1_556 ?
Sr2 S5 2.938(2) 2_666 ?
Sr2 S2 2.944(2) 2_566 ?
Sr2 S6 2.990(2) 2_666 ?
Sr2 S4 3.103(2) . ?
Sr2 S9 3.213(3) 2_656 ?
Sr2 S8 3.230(3) 1_556 ?
Sr2 S8 3.259(2) 2_666 ?
Sr2 Cu2 3.4438(14) 2_566 ?
Sr2 Cu4 3.5295(15) . ?
Sr2 Cu2 3.5443(15) 2_666 ?
Sr3 S1 2.924(3) 1_655 ?
Sr3 S5 3.009(2) 1_545 ?
Sr3 S7 3.102(2) . ?
Sr3 S3 3.138(2) . ?
Sr3 S5 3.172(2) 2_665 ?
Sr3 S9 3.214(2) . ?
Sr3 S8 3.274(2) . ?
Sr3 S6 3.330(2) . ?
Sr3 Cu2 3.5097(15) 2_665 ?
Sr3 Cu1 3.5395(18) . ?
Sr3 Cu3 3.6569(19) . ?
Sr3 Cu1 3.8590(17) 1_655 ?
Zr1 S1 2.529(2) . ?
Zr1 S6 2.549(2) . ?
Zr1 S3 2.560(2) . ?
Zr1 S2 2.638(2) . ?
Zr1 S8 2.650(2) 1_455 ?
Zr1 S8 2.656(2) 2_665 ?
Zr1 Cu3 2.9030(16) . ?
Zr1 Cu2 3.121(2) 2_565 ?
Zr1 Cu4 3.162(2) 2_666 ?
Zr1 Cu2 3.2088(14) . ?
Zr2 S9 2.490(2) 1_455 ?
Zr2 S7 2.549(2) . ?
Zr2 S4 2.590(2) . ?
Zr2 S5 2.625(2) 1_545 ?
Zr2 S2 2.668(2) 1_545 ?
Zr2 S4 2.694(2) 2_656 ?
Zr2 Cu1 2.9044(16) . ?
Zr2 Cu4 3.077(2) . ?
Zr2 Cu2 3.183(2) 1_545 ?
Zr2 Cu4 3.2718(15) 2_656 ?
Cu1 S9 2.234(2) 1_455 ?
Cu1 S3 2.246(2) . ?
Cu1 S5 2.312(2) 1_545 ?
Cu1 Cu1 2.753(3) 2 ?
Cu1 Cu2 3.0504(18) 1_545 ?
Cu2 S8 2.309(2) 2_665 ?
Cu2 S5 2.326(2) . ?
Cu2 S3 2.336(3) 2_565 ?
Cu2 S2 2.372(2) . ?
Cu3 S7 2.243(2) . ?
Cu3 S1 2.246(2) . ?
Cu3 S6 2.310(2) . ?
Cu3 Cu3 2.845(3) 2_666 ?
Cu4 S4 2.315(2) . ?
Cu4 S7 2.325(2) . ?
Cu4 S6 2.334(2) 2_666 ?
Cu4 S2 2.359(3) 2_666 ?
