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#$Date: 2025-03-04 22:21:29 +0200 (Tue, 04 Mar 2025) $
#$Revision: 298279 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/76/7717678.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_7717678
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            'Cu3.99 Se9 Sr3 Zr2'
_chemical_formula_weight         1409.15
_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                109.18(3)
_cell_angle_beta                 105.38(3)
_cell_angle_gamma                96.56(3)
_cell_formula_units_Z            2
_cell_length_a                   6.9779(14)
_cell_length_b                   10.685(2)
_cell_length_c                   12.302(3)
_cell_measurement_reflns_used    4866
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.6
_cell_measurement_theta_min      2.2
_cell_volume                     814.6(4)
_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 0.999
_diffrn_measured_fraction_theta_max 0.982
_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     0.0730
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4866
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.576
_diffrn_reflns_theta_min         2.200
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    36.133
_exptl_absorpt_correction_T_max  0.433003
_exptl_absorpt_correction_T_min  0.172047
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   multi-scan
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    5.745
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1231
_exptl_crystal_size_max          0.081
_exptl_crystal_size_mid          0.069
_exptl_crystal_size_min          0.054
_refine_diff_density_max         6.211
_refine_diff_density_min         -2.591
_refine_diff_density_rms         0.471
_refine_ls_extinction_coef       0.00083(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2017/1 (Sheldrick 2017)'
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     177
_refine_ls_number_reflns         4866
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0824
_refine_ls_R_factor_gt           0.0534
_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)+27.2292P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1057
_refine_ls_wR_factor_ref         0.1182
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3560
_reflns_number_total             4866
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt02928c2.cif
_cod_data_source_block           Sr3Zr2Cu4Se9
_cod_depositor_comments
'Adding full bibliography for 7717677--7717678.cif.'
_cod_original_cell_volume        814.6(3)
_cod_database_code               7717678
_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 0.0177(2) 0.27479(12) 0.51116(12) 0.0174(2) Uani 1 1 d . . . . .
Sr2 Sr 0.31795(18) 0.25042(11) 0.83624(12) 0.0152(2) Uani 1 1 d . . . . .
Sr3 Sr 0.65367(18) 0.23153(12) 0.15746(12) 0.0167(2) Uani 1 1 d . . . . .
Zr1 Zr 0.16735(17) 0.48749(11) 0.16345(10) 0.0121(2) Uani 1 1 d . . . . .
Zr2 Zr 0.34375(17) 0.01636(10) 0.33885(11) 0.0109(2) Uani 1 1 d . . . . .
Cu1 Cu 0.0897(5) 0.0033(4) 0.0892(3) 0.0359(11) Uani 0.598(8) 1 d . . . . .
Cu2 Cu 0.1397(3) 0.75482(16) 0.0801(2) 0.0232(4) Uani 1 1 d . . . . .
Cu3 Cu 0.2026(3) 0.24998(17) 0.2635(2) 0.0180(6) Uani 0.856(7) 1 d . . . . .
Cu4 Cu 0.4123(6) 0.4937(4) 0.4138(4) 0.0331(12) Uani 0.532(8) 1 d . . . . .
Cu5 Cu 0.5365(3) 0.25604(15) 0.59738(18) 0.0184(3) Uani 1 1 d . . . . .
Se1 Se 0.04509(19) 0.43898(11) 0.33654(11) 0.0113(3) Uani 1 1 d . . . . .
Se2 Se 0.13032(17) 0.75022(10) 0.27656(12) 0.0096(2) Uani 1 1 d . . . . .
Se3 Se 0.18345(19) 0.22670(11) 0.05191(12) 0.0123(2) Uani 1 1 d . . . . .
Se4 Se 0.29579(17) 0.05392(11) 0.56151(11) 0.0107(2) Uani 1 1 d . . . . .
Se5 Se 0.41581(19) 0.94635(11) 0.12416(11) 0.0121(3) Uani 1 1 d . . . . .
Se6 Se 0.54698(18) 0.27205(12) 0.40371(12) 0.0124(2) Uani 1 1 d . . . . .
Se7 Se 0.56281(18) 0.54850(12) 0.27712(11) 0.0124(3) Uani 1 1 d . . . . .
Se8 Se 0.76031(17) 0.44678(11) 0.02464(11) 0.0107(2) Uani 1 1 d . . . . .
Se9 Se 0.97614(18) 0.05929(12) 0.26244(11) 0.0120(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'
Se Se -0.0929 2.2259 '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
Se9 Sr1 Se2 130.71(6) 1_455 2_566 ?
Se9 Sr1 Se1 149.17(6) 1_455 2_566 ?
Se2 Sr1 Se1 70.96(4) 2_566 2_566 ?
Se9 Sr1 Se6 87.65(6) 1_455 1_455 ?
Se2 Sr1 Se6 80.39(5) 2_566 1_455 ?
Se1 Sr1 Se6 73.66(6) 2_566 1_455 ?
Se9 Sr1 Se1 74.10(5) 1_455 . ?
Se2 Sr1 Se1 147.42(5) 2_566 . ?
Se1 Sr1 Se1 78.61(5) 2_566 . ?
Se6 Sr1 Se1 80.15(5) 1_455 . ?
Se9 Sr1 Se7 126.39(6) 1_455 2_666 ?
Se2 Sr1 Se7 84.98(5) 2_566 2_666 ?
Se1 Sr1 Se7 69.86(5) 2_566 2_666 ?
Se6 Sr1 Se7 143.40(5) 1_455 2_666 ?
Se1 Sr1 Se7 95.45(5) . 2_666 ?
Se9 Sr1 Se4 72.26(5) 1_455 . ?
Se2 Sr1 Se4 84.88(5) 2_566 . ?
Se1 Sr1 Se4 137.41(6) 2_566 . ?
Se6 Sr1 Se4 137.23(5) 1_455 . ?
Se1 Sr1 Se4 126.60(5) . . ?
Se7 Sr1 Se4 73.64(5) 2_666 . ?
Se9 Sr1 Cu5 86.16(6) 1_455 . ?
Se2 Sr1 Cu5 104.53(6) 2_566 . ?
Se1 Sr1 Cu5 111.46(6) 2_566 . ?
Se6 Sr1 Cu5 173.71(6) 1_455 . ?
Se1 Sr1 Cu5 97.08(6) . . ?
Se7 Sr1 Cu5 42.16(4) 2_666 . ?
Se4 Sr1 Cu5 41.01(4) . . ?
Se9 Sr1 Cu3 42.11(4) 1_455 . ?
Se2 Sr1 Cu3 170.68(5) 2_566 . ?
Se1 Sr1 Cu3 118.17(6) 2_566 . ?
Se6 Sr1 Cu3 103.47(6) 1_455 . ?
Se1 Sr1 Cu3 41.77(4) . . ?
Se7 Sr1 Cu3 96.30(6) 2_666 . ?
Se4 Sr1 Cu3 86.63(5) . . ?
Cu5 Sr1 Cu3 71.07(5) . . ?
Se9 Sr1 Se4 64.96(5) 1_455 2_556 ?
Se2 Sr1 Se4 66.06(5) 2_566 2_556 ?
Se1 Sr1 Se4 126.61(5) 2_566 2_556 ?
Se6 Sr1 Se4 69.37(5) 1_455 2_556 ?
Se1 Sr1 Se4 128.95(6) . 2_556 ?
Se7 Sr1 Se4 133.07(6) 2_666 2_556 ?
Se4 Sr1 Se4 67.94(4) . 2_556 ?
Cu5 Sr1 Se4 108.79(5) . 2_556 ?
Cu3 Sr1 Se4 107.06(6) . 2_556 ?
Se9 Sr1 Cu5 114.00(6) 1_455 1_455 ?
Se2 Sr1 Cu5 40.15(5) 2_566 1_455 ?
Se1 Sr1 Cu5 66.08(5) 2_566 1_455 ?
Se6 Sr1 Cu5 40.25(4) 1_455 1_455 ?
Se1 Sr1 Cu5 115.89(5) . 1_455 ?
Se7 Sr1 Cu5 117.58(5) 2_666 1_455 ?
Se4 Sr1 Cu5 115.27(5) . 1_455 ?
Cu5 Sr1 Cu5 144.58(7) . 1_455 ?
Cu3 Sr1 Cu5 143.15(7) . 1_455 ?
Se4 Sr1 Cu5 60.73(4) 2_556 1_455 ?
Se9 Sr1 Sr2 123.26(5) 1_455 . ?
Se2 Sr1 Sr2 47.89(4) 2_566 . ?
Se1 Sr1 Sr2 87.36(5) 2_566 . ?
Se6 Sr1 Sr2 128.28(5) 1_455 . ?
Se1 Sr1 Sr2 143.18(5) . . ?
Se7 Sr1 Sr2 47.75(4) 2_666 . ?
Se4 Sr1 Sr2 51.33(4) . . ?
Cu5 Sr1 Sr2 56.76(5) . . ?
Cu3 Sr1 Sr2 127.59(5) . . ?
Se4 Sr1 Sr2 86.57(5) 2_556 . ?
Cu5 Sr1 Sr2 88.03(5) 1_455 . ?
Se5 Sr2 Se2 139.73(5) 2_666 2_566 ?
Se5 Sr2 Se7 119.85(5) 2_666 2_666 ?
Se2 Sr2 Se7 88.71(5) 2_566 2_666 ?
Se5 Sr2 Se3 86.37(5) 2_666 1_556 ?
Se2 Sr2 Se3 84.53(5) 2_566 1_556 ?
Se7 Sr2 Se3 143.58(5) 2_666 1_556 ?
Se5 Sr2 Se8 75.65(5) 2_666 1_556 ?
Se2 Sr2 Se8 143.53(5) 2_566 1_556 ?
Se7 Sr2 Se8 73.67(5) 2_666 1_556 ?
Se3 Sr2 Se8 91.09(6) 1_556 1_556 ?
Se5 Sr2 Se4 75.05(5) 2_666 . ?
Se2 Sr2 Se4 86.52(6) 2_566 . ?
Se7 Sr2 Se4 76.13(5) 2_666 . ?
Se3 Sr2 Se4 138.72(5) 1_556 . ?
Se8 Sr2 Se4 118.36(5) 1_556 . ?
Se5 Sr2 Se8 142.00(6) 2_666 2_666 ?
Se2 Sr2 Se8 71.83(5) 2_566 2_666 ?
Se7 Sr2 Se8 69.06(4) 2_666 2_666 ?
Se3 Sr2 Se8 74.83(5) 1_556 2_666 ?
Se8 Sr2 Se8 72.09(5) 1_556 2_666 ?
Se4 Sr2 Se8 138.90(6) . 2_666 ?
Se5 Sr2 Se9 70.85(4) 2_666 2_656 ?
Se2 Sr2 Se9 68.97(5) 2_566 2_656 ?
Se7 Sr2 Se9 136.73(6) 2_666 2_656 ?
Se3 Sr2 Se9 72.89(5) 1_556 2_656 ?
Se8 Sr2 Se9 143.47(6) 1_556 2_656 ?
Se4 Sr2 Se9 66.29(5) . 2_656 ?
Se8 Sr2 Se9 130.74(5) 2_666 2_656 ?
Se5 Sr2 Cu2 119.86(6) 2_666 2_566 ?
Se2 Sr2 Cu2 42.15(5) 2_566 2_566 ?
Se7 Sr2 Cu2 120.28(6) 2_666 2_566 ?
Se3 Sr2 Cu2 42.47(5) 1_556 2_566 ?
Se8 Sr2 Cu2 122.36(6) 1_556 2_566 ?
Se4 Sr2 Cu2 119.28(6) . 2_566 ?
Se8 Sr2 Cu2 65.04(5) 2_666 2_566 ?
Se9 Sr2 Cu2 65.97(5) 2_656 2_566 ?
Se5 Sr2 Cu2 41.66(4) 2_666 2_666 ?
Se2 Sr2 Cu2 170.19(6) 2_566 2_666 ?
Se7 Sr2 Cu2 84.44(5) 2_666 2_666 ?
Se3 Sr2 Cu2 105.14(6) 1_556 2_666 ?
Se8 Sr2 Cu2 40.03(4) 1_556 2_666 ?
Se4 Sr2 Cu2 85.04(6) . 2_666 ?
Se8 Sr2 Cu2 111.90(6) 2_666 2_666 ?
Se9 Sr2 Cu2 111.81(5) 2_656 2_666 ?
Cu2 Sr2 Cu2 147.58(8) 2_566 2_666 ?
Se5 Sr2 Cu5 85.67(5) 2_666 . ?
Se2 Sr2 Cu5 102.99(6) 2_566 . ?
Se7 Sr2 Cu5 41.50(4) 2_666 . ?
Se3 Sr2 Cu5 171.75(6) 1_556 . ?
Se8 Sr2 Cu5 84.85(5) 1_556 . ?
Se4 Sr2 Cu5 40.17(4) . . ?
Se8 Sr2 Cu5 110.53(5) 2_666 . ?
Se9 Sr2 Cu5 106.39(5) 2_656 . ?
Cu2 Sr2 Cu5 145.14(7) 2_566 . ?
Cu2 Sr2 Cu5 67.27(5) 2_666 . ?
Se5 Sr2 Sr1 127.15(5) 2_666 . ?
Se2 Sr2 Sr1 49.20(4) 2_566 . ?
Se7 Sr2 Sr1 50.95(4) 2_666 . ?
Se3 Sr2 Sr1 133.72(5) 1_556 . ?
Se8 Sr2 Sr1 124.58(5) 1_556 . ?
Se4 Sr2 Sr1 52.15(4) . . ?
Se8 Sr2 Sr1 88.27(5) 2_666 . ?
Se9 Sr2 Sr1 88.04(5) 2_656 . ?
Cu2 Sr2 Sr1 91.29(5) 2_566 . ?
Cu2 Sr2 Sr1 121.13(6) 2_666 . ?
Cu5 Sr2 Sr1 53.90(4) . . ?
Se1 Sr3 Se5 136.89(6) 1_655 1_545 ?
Se1 Sr3 Se3 137.89(5) 1_655 . ?
Se5 Sr3 Se3 74.03(5) 1_545 . ?
Se1 Sr3 Se6 81.99(5) 1_655 . ?
Se5 Sr3 Se6 73.65(5) 1_545 . ?
Se3 Sr3 Se6 82.92(5) . . ?
Se1 Sr3 Se5 125.52(6) 1_655 2_665 ?
Se5 Sr3 Se5 77.56(6) 1_545 2_665 ?
Se3 Sr3 Se5 82.04(6) . 2_665 ?
Se6 Sr3 Se5 150.22(5) . 2_665 ?
Se1 Sr3 Se9 72.61(5) 1_655 . ?
Se5 Sr3 Se9 69.65(5) 1_545 . ?
Se3 Sr3 Se9 143.46(5) . . ?
Se6 Sr3 Se9 83.19(5) . . ?
Se5 Sr3 Se9 93.93(5) 2_665 . ?
Se1 Sr3 Se8 73.66(5) 1_655 . ?
Se5 Sr3 Se8 147.11(6) 1_545 . ?
Se3 Sr3 Se8 88.84(5) . . ?
Se6 Sr3 Se8 132.86(5) . . ?
Se5 Sr3 Se8 72.31(5) 2_665 . ?
Se9 Sr3 Se8 124.66(5) . . ?
Se1 Sr3 Se7 68.25(5) 1_655 . ?
Se5 Sr3 Se7 130.13(5) 1_545 . ?
Se3 Sr3 Se7 69.64(5) . . ?
Se6 Sr3 Se7 69.06(5) . . ?
Se5 Sr3 Se7 127.91(6) 2_665 . ?
Se9 Sr3 Se7 134.30(6) . . ?
Se8 Sr3 Se7 64.58(4) . . ?
Se1 Sr3 Cu2 86.35(5) 1_655 2_665 ?
Se5 Sr3 Cu2 116.90(6) 1_545 2_665 ?
Se3 Sr3 Cu2 104.66(6) . 2_665 ?
Se6 Sr3 Cu2 168.17(5) . 2_665 ?
Se5 Sr3 Cu2 41.45(4) 2_665 2_665 ?
Se9 Sr3 Cu2 95.30(5) . 2_665 ?
Se8 Sr3 Cu2 40.12(4) . 2_665 ?
Se7 Sr3 Cu2 104.67(5) . 2_665 ?
Se1 Sr3 Cu3 41.23(4) 1_655 1_655 ?
Se5 Sr3 Cu3 109.27(6) 1_545 1_655 ?
Se3 Sr3 Cu3 175.61(6) . 1_655 ?
Se6 Sr3 Cu3 100.71(6) . 1_655 ?
Se5 Sr3 Cu3 95.75(6) 2_665 1_655 ?
Se9 Sr3 Cu3 40.24(4) . 1_655 ?
Se8 Sr3 Cu3 86.87(5) . 1_655 ?
Se7 Sr3 Cu3 109.21(6) . 1_655 ?
Cu2 Sr3 Cu3 71.37(5) 2_665 1_655 ?
Se1 Sr3 Cu3 114.58(6) 1_655 . ?
Se5 Sr3 Cu3 66.81(5) 1_545 . ?
Se3 Sr3 Cu3 41.58(5) . . ?
Se6 Sr3 Cu3 41.37(5) . . ?
Se5 Sr3 Cu3 118.52(6) 2_665 . ?
Se9 Sr3 Cu3 116.24(6) . . ?
Se8 Sr3 Cu3 117.30(5) . . ?
Se7 Sr3 Cu3 63.32(5) . . ?
Cu2 Sr3 Cu3 145.73(7) 2_665 . ?
Cu3 Sr3 Cu3 142.08(8) 1_655 . ?
Se1 Sr3 Sr2 124.59(5) 1_655 1_554 ?
Se5 Sr3 Sr2 98.06(6) 1_545 1_554 ?
Se3 Sr3 Sr2 48.56(4) . 1_554 ?
Se6 Sr3 Sr2 130.34(5) . 1_554 ?
Se5 Sr3 Sr2 46.97(4) 2_665 1_554 ?
Se9 Sr3 Sr2 140.86(5) . 1_554 ?
Se8 Sr3 Sr2 51.15(4) . 1_554 ?
Se7 Sr3 Sr2 82.56(5) . 1_554 ?
Cu2 Sr3 Sr2 56.14(4) 2_665 1_554 ?
Cu3 Sr3 Sr2 127.37(6) 1_655 1_554 ?
Cu3 Sr3 Sr2 89.76(5) . 1_554 ?
Se7 Zr1 Se1 97.74(6) . . ?
Se7 Zr1 Se3 90.15(6) . . ?
Se1 Zr1 Se3 93.95(6) . . ?
Se7 Zr1 Se2 92.46(6) . . ?
Se1 Zr1 Se2 84.41(5) . . ?
Se3 Zr1 Se2 177.08(6) . . ?
Se7 Zr1 Se8 89.73(6) . 2_665 ?
Se1 Zr1 Se8 171.05(6) . 2_665 ?
Se3 Zr1 Se8 90.94(5) . 2_665 ?
Se2 Zr1 Se8 90.38(5) . 2_665 ?
Se7 Zr1 Se8 171.63(6) . 1_455 ?
Se1 Zr1 Se8 89.75(5) . 1_455 ?
Se3 Zr1 Se8 93.07(6) . 1_455 ?
Se2 Zr1 Se8 84.53(6) . 1_455 ?
Se8 Zr1 Se8 82.50(5) 2_665 1_455 ?
Se7 Zr1 Cu4 48.75(8) . . ?
Se1 Zr1 Cu4 49.01(8) . . ?
Se3 Zr1 Cu4 92.03(10) . . ?
Se2 Zr1 Cu4 88.71(10) . . ?
Se8 Zr1 Cu4 138.35(9) 2_665 . ?
Se8 Zr1 Cu4 138.71(9) 1_455 . ?
Se7 Zr1 Cu3 80.08(6) . . ?
Se1 Zr1 Cu3 48.37(5) . . ?
Se3 Zr1 Cu3 49.56(5) . . ?
Se2 Zr1 Cu3 129.70(6) . . ?
Se8 Zr1 Cu3 138.65(6) 2_665 . ?
Se8 Zr1 Cu3 107.84(6) 1_455 . ?
Cu4 Zr1 Cu3 49.59(9) . . ?
Se7 Zr1 Cu2 134.62(6) . 2_565 ?
Se1 Zr1 Cu2 101.72(6) . 2_565 ?
Se3 Zr1 Cu2 48.21(5) . 2_565 ?
Se2 Zr1 Cu2 129.75(6) . 2_565 ?
Se8 Zr1 Cu2 76.08(6) 2_665 2_565 ?
Se8 Zr1 Cu2 46.22(5) 1_455 2_565 ?
Cu4 Zr1 Cu2 132.60(10) . 2_565 ?
Cu3 Zr1 Cu2 83.01(6) . 2_565 ?
Se7 Zr1 Cu5 47.70(5) . 2_666 ?
Se1 Zr1 Cu5 79.70(5) . 2_666 ?
Se3 Zr1 Cu5 134.98(6) . 2_666 ?
Se2 Zr1 Cu5 47.11(5) . 2_666 ?
Se8 Zr1 Cu5 102.03(6) 2_665 2_666 ?
Se8 Zr1 Cu5 131.02(6) 1_455 2_666 ?
Cu4 Zr1 Cu5 50.57(9) . 2_666 ?
Cu3 Zr1 Cu5 100.16(6) . 2_666 ?
Cu2 Zr1 Cu5 176.60(6) 2_565 2_666 ?
Se7 Zr1 Cu2 98.23(6) . . ?
Se1 Zr1 Cu2 128.27(6) . . ?
Se3 Zr1 Cu2 134.74(6) . . ?
Se2 Zr1 Cu2 46.08(5) . . ?
Se8 Zr1 Cu2 45.08(5) 2_665 . ?
Se8 Zr1 Cu2 74.07(6) 1_455 . ?
Cu4 Zr1 Cu2 126.36(10) . . ?
Cu3 Zr1 Cu2 175.57(6) . . ?
Cu2 Zr1 Cu2 100.97(5) 2_565 . ?
Cu5 Zr1 Cu2 75.81(5) 2_666 . ?
Se7 Zr1 Sr3 135.95(5) . 1_455 ?
Se1 Zr1 Sr3 46.54(4) . 1_455 ?
Se3 Zr1 Sr3 71.54(5) . 1_455 ?
Se2 Zr1 Sr3 105.62(5) . 1_455 ?
Se8 Zr1 Sr3 128.94(5) 2_665 1_455 ?
Se8 Zr1 Sr3 52.40(4) 1_455 1_455 ?
Cu4 Zr1 Sr3 91.08(9) . 1_455 ?
Cu3 Zr1 Sr3 57.33(5) . 1_455 ?
Cu2 Zr1 Sr3 56.22(5) 2_565 1_455 ?
Cu5 Zr1 Sr3 124.56(5) 2_666 1_455 ?
Cu2 Zr1 Sr3 123.36(5) . 1_455 ?
Se9 Zr2 Se6 96.40(6) 1_455 . ?
Se9 Zr2 Se5 97.27(6) 1_455 1_545 ?
Se6 Zr2 Se5 90.16(6) . 1_545 ?
Se9 Zr2 Se4 89.26(6) 1_455 . ?
Se6 Zr2 Se4 95.26(6) . . ?
Se5 Zr2 Se4 171.01(6) 1_545 . ?
Se9 Zr2 Se4 170.44(6) 1_455 2_656 ?
Se6 Zr2 Se4 90.51(6) . 2_656 ?
Se5 Zr2 Se4 89.28(5) 1_545 2_656 ?
Se4 Zr2 Se4 83.52(5) . 2_656 ?
Se9 Zr2 Se2 83.60(6) 1_455 1_545 ?
Se6 Zr2 Se2 178.63(6) . 1_545 ?
Se5 Zr2 Se2 91.20(6) 1_545 1_545 ?
Se4 Zr2 Se2 83.38(6) . 1_545 ?
Se4 Zr2 Se2 89.33(5) 2_656 1_545 ?
Se9 Zr2 Cu1 48.83(8) 1_455 . ?
Se6 Zr2 Cu1 93.11(10) . . ?
Se5 Zr2 Cu1 48.49(7) 1_545 . ?
Se4 Zr2 Cu1 137.95(8) . . ?
Se4 Zr2 Cu1 137.57(8) 2_656 . ?
Se2 Zr2 Cu1 87.92(10) 1_545 . ?
Se9 Zr2 Cu3 49.12(5) 1_455 . ?
Se6 Zr2 Cu3 50.33(5) . . ?
Se5 Zr2 Cu3 81.57(6) 1_545 . ?
Se4 Zr2 Cu3 107.40(6) . . ?
Se4 Zr2 Cu3 139.38(6) 2_656 . ?
Se2 Zr2 Cu3 130.09(6) 1_545 . ?
Cu1 Zr2 Cu3 51.11(9) . . ?
Se9 Zr2 Cu5 102.25(6) 1_455 . ?
Se6 Zr2 Cu5 48.87(5) . . ?
Se5 Zr2 Cu5 135.90(6) 1_545 . ?
Se4 Zr2 Cu5 47.44(5) . . ?
Se4 Zr2 Cu5 77.40(6) 2_656 . ?
Se2 Zr2 Cu5 129.79(6) 1_545 . ?
Cu1 Zr2 Cu5 133.18(9) . . ?
Cu3 Zr2 Cu5 82.09(6) . . ?
Se9 Zr2 Cu2 78.59(6) 1_455 1_545 ?
Se6 Zr2 Cu2 134.75(7) . 1_545 ?
Se5 Zr2 Cu2 47.09(5) 1_545 1_545 ?
Se4 Zr2 Cu2 129.21(6) . 1_545 ?
Se4 Zr2 Cu2 101.16(6) 2_656 1_545 ?
Se2 Zr2 Cu2 46.60(5) 1_545 1_545 ?
Cu1 Zr2 Cu2 49.93(9) . 1_545 ?
Cu3 Zr2 Cu2 101.03(6) . 1_545 ?
Cu5 Zr2 Cu2 176.32(6) . 1_545 ?
Se9 Zr2 Sr1 47.43(4) 1_455 . ?
Se6 Zr2 Sr1 72.71(4) . . ?
Se5 Zr2 Sr1 136.11(5) 1_545 . ?
Se4 Zr2 Sr1 52.71(4) . . ?
Se4 Zr2 Sr1 129.71(5) 2_656 . ?
Se2 Zr2 Sr1 106.38(5) 1_545 . ?
Cu1 Zr2 Sr1 91.40(8) . . ?
Cu3 Zr2 Sr1 56.17(5) . . ?
Cu5 Zr2 Sr1 55.60(4) . . ?
Cu2 Zr2 Sr1 124.55(5) 1_545 . ?
Cu1 Cu1 Se9 123.9(2) 2 1_455 ?
Cu1 Cu1 Se5 122.1(2) 2 1_545 ?
Se9 Cu1 Se5 113.97(14) 1_455 1_545 ?
Cu1 Cu1 Se3 66.3(2) 2 . ?
Se9 Cu1 Se3 108.13(15) 1_455 . ?
Se5 Cu1 Se3 98.86(14) 1_545 . ?
Cu1 Cu1 Se3 64.5(2) 2 2 ?
Se9 Cu1 Se3 98.86(14) 1_455 2 ?
Se5 Cu1 Se3 106.64(15) 1_545 2 ?
Se3 Cu1 Se3 130.88(13) . 2 ?
Cu1 Cu1 Cu3 114.0(3) 2 . ?
Se9 Cu1 Cu3 57.14(10) 1_455 . ?
Se5 Cu1 Cu3 97.66(14) 1_545 . ?
Se3 Cu1 Cu3 56.46(11) . . ?
Se3 Cu1 Cu3 151.71(15) 2 . ?
Cu1 Cu1 Cu2 111.2(3) 2 1_545 ?
Se9 Cu1 Cu2 96.32(14) 1_455 1_545 ?
Se5 Cu1 Cu2 57.40(9) 1_545 1_545 ?
Se3 Cu1 Cu2 151.86(15) . 1_545 ?
Se3 Cu1 Cu2 55.21(10) 2 1_545 ?
Cu3 Cu1 Cu2 134.77(14) . 1_545 ?
Cu1 Cu1 Zr2 179.2(3) 2 . ?
Se9 Cu1 Zr2 56.25(8) 1_455 . ?
Se5 Cu1 Zr2 57.79(8) 1_545 . ?
Se3 Cu1 Zr2 112.87(15) . . ?
Se3 Cu1 Zr2 116.25(14) 2 . ?
Cu3 Cu1 Zr2 65.36(10) . . ?
Cu2 Cu1 Zr2 69.43(10) 1_545 . ?
Se8 Cu2 Se2 108.26(9) 2_665 . ?
Se8 Cu2 Se5 106.18(8) 2_665 . ?
Se2 Cu2 Se5 106.76(9) . . ?
Se8 Cu2 Se3 109.74(9) 2_665 2_565 ?
Se2 Cu2 Se3 114.99(8) . 2_565 ?
Se5 Cu2 Se3 110.50(9) . 2_565 ?
Se8 Cu2 Cu1 145.73(12) 2_665 1_565 ?
Se2 Cu2 Cu1 104.96(10) . 1_565 ?
Se5 Cu2 Cu1 55.15(9) . 1_565 ?
Se3 Cu2 Cu1 61.77(10) 2_565 1_565 ?
Se8 Cu2 Zr1 57.14(6) 2_665 2_565 ?
Se2 Cu2 Zr1 117.57(7) . 2_565 ?
Se5 Cu2 Zr1 135.48(9) . 2_565 ?
Se3 Cu2 Zr1 54.44(6) 2_565 2_565 ?
Cu1 Cu2 Zr1 113.12(11) 1_565 2_565 ?
Se8 Cu2 Zr2 135.79(9) 2_665 1_565 ?
Se2 Cu2 Zr2 56.35(5) . 1_565 ?
Se5 Cu2 Zr2 53.72(6) . 1_565 ?
Se3 Cu2 Zr2 114.21(7) 2_565 1_565 ?
Cu1 Cu2 Zr2 60.65(9) 1_565 1_565 ?
Zr1 Cu2 Zr2 165.58(6) 2_565 1_565 ?
Se8 Cu2 Zr1 54.84(5) 2_665 . ?
Se2 Cu2 Zr1 54.49(5) . . ?
Se5 Cu2 Zr1 128.16(8) . . ?
Se3 Cu2 Zr1 121.26(7) 2_565 . ?
Cu1 Cu2 Zr1 159.29(11) 1_565 . ?
Zr1 Cu2 Zr1 79.02(5) 2_565 . ?
Zr2 Cu2 Zr1 103.38(7) 1_565 . ?
Se8 Cu2 Sr2 123.55(7) 2_665 2_566 ?
Se2 Cu2 Sr2 57.06(5) . 2_566 ?
Se5 Cu2 Sr2 130.15(7) . 2_566 ?
Se3 Cu2 Sr2 58.09(5) 2_565 2_566 ?
Cu1 Cu2 Sr2 82.04(9) 1_565 2_566 ?
Zr1 Cu2 Sr2 81.07(6) 2_565 2_566 ?
Zr2 Cu2 Sr2 85.06(6) 1_565 2_566 ?
Zr1 Cu2 Sr2 83.54(5) . 2_566 ?
Se8 Cu2 Sr3 63.92(6) 2_665 2_665 ?
Se2 Cu2 Sr3 159.15(8) . 2_665 ?
Se5 Cu2 Sr3 60.67(6) . 2_665 ?
Se3 Cu2 Sr3 85.71(7) 2_565 2_665 ?
Cu1 Cu2 Sr3 81.98(10) 1_565 2_665 ?
Zr1 Cu2 Sr3 75.71(6) 2_565 2_665 ?
Zr2 Cu2 Sr3 114.36(6) 1_565 2_665 ?
Zr1 Cu2 Sr3 118.08(6) . 2_665 ?
Sr2 Cu2 Sr3 143.76(8) 2_566 2_665 ?
Se8 Cu2 Sr2 61.67(6) 2_665 2_666 ?
Se2 Cu2 Sr2 90.54(8) . 2_666 ?
Se5 Cu2 Sr2 55.30(5) . 2_666 ?
Se3 Cu2 Sr2 154.27(8) 2_565 2_666 ?
Cu1 Cu2 Sr2 110.32(10) 1_565 2_666 ?
Zr1 Cu2 Sr2 117.77(6) 2_565 2_666 ?
Zr2 Cu2 Sr2 76.36(6) 1_565 2_666 ?
Zr1 Cu2 Sr2 75.42(6) . 2_666 ?
Sr2 Cu2 Sr2 147.58(8) 2_566 2_666 ?
Sr3 Cu2 Sr2 68.66(5) 2_665 2_666 ?
Se9 Cu3 Se1 102.70(8) 1_455 . ?
Se9 Cu3 Se6 107.44(9) 1_455 . ?
Se1 Cu3 Se6 113.54(10) . . ?
Se9 Cu3 Se3 110.87(10) 1_455 . ?
Se1 Cu3 Se3 105.45(9) . . ?
Se6 Cu3 Se3 116.06(8) . . ?
Se9 Cu3 Cu4 139.07(13) 1_455 . ?
Se1 Cu3 Cu4 56.81(10) . . ?
Se6 Cu3 Cu4 61.68(10) . . ?
Se3 Cu3 Cu4 108.89(11) . . ?
Se9 Cu3 Cu1 55.72(10) 1_455 . ?
Se1 Cu3 Cu1 137.37(12) . . ?
Se6 Cu3 Cu1 108.29(10) . . ?
Se3 Cu3 Cu1 60.91(10) . . ?
Cu4 Cu3 Cu1 162.46(14) . . ?
Se9 Cu3 Zr2 55.25(5) 1_455 . ?
Se1 Cu3 Zr2 138.57(9) . . ?
Se6 Cu3 Zr2 55.94(6) . . ?
Se3 Cu3 Zr2 114.99(7) . . ?
Cu4 Cu3 Zr2 114.21(12) . . ?
Cu1 Cu3 Zr2 63.54(9) . . ?
Se9 Cu3 Zr1 137.77(9) 1_455 . ?
Se1 Cu3 Zr1 54.97(5) . . ?
Se6 Cu3 Zr1 114.30(8) . . ?
Se3 Cu3 Zr1 55.42(6) . . ?
Cu4 Cu3 Zr1 63.32(9) . . ?
Cu1 Cu3 Zr1 113.58(11) . . ?
Zr2 Cu3 Zr1 164.07(7) . . ?
Se9 Cu3 Sr1 58.42(6) 1_455 . ?
Se1 Cu3 Sr1 61.62(6) . . ?
Se6 Cu3 Sr1 87.15(8) . . ?
Se3 Cu3 Sr1 156.78(9) . . ?
Cu4 Cu3 Sr1 81.02(11) . . ?
Cu1 Cu3 Sr1 114.02(10) . . ?
Zr2 Cu3 Sr1 77.29(6) . . ?
Zr1 Cu3 Sr1 116.52(6) . . ?
Se9 Cu3 Sr3 62.45(6) 1_455 1_455 ?
Se1 Cu3 Sr3 56.27(6) . 1_455 ?
Se6 Cu3 Sr3 159.45(9) . 1_455 ?
Se3 Cu3 Sr3 84.48(8) . 1_455 ?
Cu4 Cu3 Sr3 112.92(11) . 1_455 ?
Cu1 Cu3 Sr3 81.48(10) . 1_455 ?
Zr2 Cu3 Sr3 117.68(6) . 1_455 ?
Zr1 Cu3 Sr3 75.92(6) . 1_455 ?
Sr1 Cu3 Sr3 72.30(5) . 1_455 ?
Se9 Cu3 Sr3 125.77(7) 1_455 . ?
Se1 Cu3 Sr3 131.43(7) . . ?
Se6 Cu3 Sr3 58.47(5) . . ?
Se3 Cu3 Sr3 57.66(6) . . ?
Cu4 Cu3 Sr3 84.23(11) . . ?
Cu1 Cu3 Sr3 78.23(10) . . ?
Zr2 Cu3 Sr3 80.73(5) . . ?
Zr1 Cu3 Sr3 83.35(6) . . ?
Sr1 Cu3 Sr3 145.53(8) . . ?
Sr3 Cu3 Sr3 142.08(8) 1_455 . ?
Cu4 Cu4 Se7 122.3(3) 2_666 . ?
Cu4 Cu4 Se1 125.0(3) 2_666 . ?
Se7 Cu4 Se1 112.57(15) . . ?
Cu4 Cu4 Cu3 115.4(3) 2_666 . ?
Se7 Cu4 Cu3 97.01(16) . . ?
Se1 Cu4 Cu3 57.71(11) . . ?
Cu4 Cu4 Se6 68.2(2) 2_666 . ?
Se7 Cu4 Se6 97.36(15) . . ?
Se1 Cu4 Se6 109.85(16) . . ?
Cu3 Cu4 Se6 56.74(11) . . ?
Cu4 Cu4 Se6 65.2(2) 2_666 2_666 ?
Se7 Cu4 Se6 107.03(16) . 2_666 ?
Se1 Cu4 Se6 96.76(15) . 2_666 ?
Cu3 Cu4 Se6 150.66(17) . 2_666 ?
Se6 Cu4 Se6 133.37(15) . 2_666 ?
Cu4 Cu4 Cu5 109.3(3) 2_666 2_666 ?
Se7 Cu4 Cu5 57.01(10) . 2_666 ?
Se1 Cu4 Cu5 96.46(14) . 2_666 ?
Cu3 Cu4 Cu5 135.31(15) . 2_666 ?
Se6 Cu4 Cu5 149.43(17) . 2_666 ?
Se6 Cu4 Cu5 54.36(10) 2_666 2_666 ?
Cu4 Cu4 Zr1 177.4(3) 2_666 . ?
Se7 Cu4 Zr1 55.94(8) . . ?
Se1 Cu4 Zr1 56.65(9) . . ?
Cu3 Cu4 Zr1 67.09(11) . . ?
Se6 Cu4 Zr1 113.46(16) . . ?
Se6 Cu4 Zr1 113.14(14) 2_666 . ?
Cu5 Cu4 Zr1 68.22(10) 2_666 . ?
Se4 Cu5 Se7 107.64(8) . 2_666 ?
Se4 Cu5 Se2 108.02(9) . 2_666 ?
Se7 Cu5 Se2 105.59(9) 2_666 2_666 ?
Se4 Cu5 Se6 110.76(9) . . ?
Se7 Cu5 Se6 112.35(8) 2_666 . ?
Se2 Cu5 Se6 112.21(7) 2_666 . ?
Se4 Cu5 Cu4 146.25(12) . 2_666 ?
Se7 Cu5 Cu4 54.90(10) 2_666 2_666 ?
Se2 Cu5 Cu4 104.80(11) 2_666 2_666 ?
Se6 Cu5 Cu4 62.24(11) . 2_666 ?
Se4 Cu5 Zr2 57.06(6) . . ?
Se7 Cu5 Zr2 137.79(8) 2_666 . ?
Se2 Cu5 Zr2 116.48(7) 2_666 . ?
Se6 Cu5 Zr2 55.09(5) . . ?
Cu4 Cu5 Zr2 113.61(11) 2_666 . ?
Se4 Cu5 Zr1 135.51(9) . 2_666 ?
Se7 Cu5 Zr1 52.67(5) 2_666 2_666 ?
Se2 Cu5 Zr1 55.91(6) 2_666 2_666 ?
Se6 Cu5 Zr1 113.69(7) . 2_666 ?
Cu4 Cu5 Zr1 61.21(9) 2_666 2_666 ?
Zr2 Cu5 Zr1 165.14(6) . 2_666 ?
Se4 Cu5 Sr1 64.80(6) . . ?
Se7 Cu5 Sr1 61.94(6) 2_666 . ?
Se2 Cu5 Sr1 159.68(8) 2_666 . ?
Se6 Cu5 Sr1 87.93(7) . . ?
Cu4 Cu5 Sr1 81.63(10) 2_666 . ?
Zr2 Cu5 Sr1 76.70(6) . . ?
Zr1 Cu5 Sr1 114.58(6) 2_666 . ?
Se4 Cu5 Sr2 61.58(6) . . ?
Se7 Cu5 Sr2 56.13(5) 2_666 . ?
Se2 Cu5 Sr2 90.44(7) 2_666 . ?
Se6 Cu5 Sr2 157.22(8) . . ?
Cu4 Cu5 Sr2 110.98(10) 2_666 . ?
Zr2 Cu5 Sr2 117.79(6) . . ?
Zr1 Cu5 Sr2 76.38(5) 2_666 . ?
Sr1 Cu5 Sr2 69.34(4) . . ?
Se4 Cu5 Sr1 127.33(6) . 1_655 ?
Se7 Cu5 Sr1 124.68(7) 2_666 1_655 ?
Se2 Cu5 Sr1 55.38(5) 2_666 1_655 ?
Se6 Cu5 Sr1 56.84(5) . 1_655 ?
Cu4 Cu5 Sr1 78.70(10) 2_666 1_655 ?
Zr2 Cu5 Sr1 84.61(6) . 1_655 ?
Zr1 Cu5 Sr1 80.71(5) 2_666 1_655 ?
Sr1 Cu5 Sr1 144.58(7) . 1_655 ?
Sr2 Cu5 Sr1 145.66(7) . 1_655 ?
Cu4 Se1 Cu3 65.47(12) . . ?
Cu4 Se1 Zr1 74.34(10) . . ?
Cu3 Se1 Zr1 76.66(7) . . ?
Cu4 Se1 Sr3 147.61(12) . 1_455 ?
Cu3 Se1 Sr3 82.50(7) . 1_455 ?
Zr1 Se1 Sr3 94.40(5) . 1_455 ?
Cu4 Se1 Sr1 96.76(12) . 2_566 ?
Cu3 Se1 Sr1 161.85(8) . 2_566 ?
Zr1 Se1 Sr1 103.00(5) . 2_566 ?
Sr3 Se1 Sr1 115.48(6) 1_455 2_566 ?
Cu4 Se1 Sr1 91.66(10) . . ?
Cu3 Se1 Sr1 76.60(7) . . ?
Zr1 Se1 Sr1 153.07(5) . . ?
Sr3 Se1 Sr1 85.24(5) 1_455 . ?
Sr1 Se1 Sr1 101.39(5) 2_566 . ?
Cu5 Se2 Cu2 111.75(7) 2_666 . ?
Cu5 Se2 Zr1 76.98(7) 2_666 . ?
Cu2 Se2 Zr1 79.44(6) . . ?
Cu5 Se2 Zr2 79.96(6) 2_666 1_565 ?
Cu2 Se2 Zr2 77.05(7) . 1_565 ?
Zr1 Se2 Zr2 137.84(5) . 1_565 ?
Cu5 Se2 Sr2 167.38(7) 2_666 2_566 ?
Cu2 Se2 Sr2 80.79(7) . 2_566 ?
Zr1 Se2 Sr2 105.04(6) . 2_566 ?
Zr2 Se2 Sr2 105.10(6) 1_565 2_566 ?
Cu5 Se2 Sr1 84.47(7) 2_666 2_566 ?
Cu2 Se2 Sr1 163.35(7) . 2_566 ?
Zr1 Se2 Sr1 101.63(5) . 2_566 ?
Zr2 Se2 Sr1 110.73(6) 1_565 2_566 ?
Sr2 Se2 Sr1 82.92(5) 2_566 2_566 ?
Cu2 Se3 Cu3 117.35(8) 2_565 . ?
Cu2 Se3 Cu1 104.76(10) 2_565 . ?
Cu3 Se3 Cu1 62.63(10) . . ?
Cu2 Se3 Cu1 63.02(9) 2_565 2 ?
Cu3 Se3 Cu1 104.60(10) . 2 ?
Cu1 Se3 Cu1 49.12(13) . 2 ?
Cu2 Se3 Zr1 77.35(7) 2_565 . ?
Cu3 Se3 Zr1 75.02(6) . . ?
Cu1 Se3 Zr1 133.41(10) . . ?
Cu1 Se3 Zr1 135.29(9) 2 . ?
Cu2 Se3 Sr2 79.44(7) 2_565 1_554 ?
Cu3 Se3 Sr2 159.90(7) . 1_554 ?
Cu1 Se3 Sr2 126.54(9) . 1_554 ?
Cu1 Se3 Sr2 92.73(9) 2 1_554 ?
Zr1 Se3 Sr2 99.86(6) . 1_554 ?
Cu2 Se3 Sr3 160.55(7) 2_565 . ?
Cu3 Se3 Sr3 80.76(7) . . ?
Cu1 Se3 Sr3 89.58(9) . . ?
Cu1 Se3 Sr3 121.85(9) 2 . ?
Zr1 Se3 Sr3 102.46(6) . . ?
Sr2 Se3 Sr3 81.46(5) 1_554 . ?
Cu5 Se4 Zr2 75.50(7) . . ?
Cu5 Se4 Zr2 80.90(6) . 2_656 ?
Zr2 Se4 Zr2 96.48(5) . 2_656 ?
Cu5 Se4 Sr2 78.25(7) . . ?
Zr2 Se4 Sr2 151.67(5) . . ?
Zr2 Se4 Sr2 89.69(6) 2_656 . ?
Cu5 Se4 Sr1 74.19(6) . . ?
Zr2 Se4 Sr1 86.19(5) . . ?
Zr2 Se4 Sr1 153.46(5) 2_656 . ?
Sr2 Se4 Sr1 76.52(5) . . ?
Cu5 Se4 Sr1 171.95(6) . 2_556 ?
Zr2 Se4 Sr1 99.42(6) . 2_556 ?
Zr2 Se4 Sr1 93.62(5) 2_656 2_556 ?
Sr2 Se4 Sr1 107.77(5) . 2_556 ?
Sr1 Se4 Sr1 112.06(4) . 2_556 ?
Cu1 Se5 Cu2 67.44(12) 1_565 . ?
Cu1 Se5 Zr2 73.71(9) 1_565 1_565 ?
Cu2 Se5 Zr2 79.19(7) . 1_565 ?
Cu1 Se5 Sr2 150.16(11) 1_565 2_666 ?
Cu2 Se5 Sr2 83.04(6) . 2_666 ?
Zr2 Se5 Sr2 97.24(6) 1_565 2_666 ?
Cu1 Se5 Sr3 94.87(11) 1_565 1_565 ?
Cu2 Se5 Sr3 162.13(7) . 1_565 ?
Zr2 Se5 Sr3 98.77(6) 1_565 1_565 ?
Sr2 Se5 Sr3 114.78(5) 2_666 1_565 ?
Cu1 Se5 Sr3 95.55(10) 1_565 2_665 ?
Cu2 Se5 Sr3 77.88(7) . 2_665 ?
Zr2 Se5 Sr3 156.99(5) 1_565 2_665 ?
Sr2 Se5 Sr3 81.92(5) 2_666 2_665 ?
Sr3 Se5 Sr3 102.44(5) 1_565 2_665 ?
Cu5 Se6 Cu3 112.70(8) . . ?
Cu5 Se6 Cu4 101.52(11) . . ?
Cu3 Se6 Cu4 61.58(10) . . ?
Cu5 Se6 Zr2 76.04(6) . . ?
Cu3 Se6 Zr2 73.73(7) . . ?
Cu4 Se6 Zr2 130.46(10) . . ?
Cu5 Se6 Cu4 63.40(9) . 2_666 ?
Cu3 Se6 Cu4 101.18(10) . 2_666 ?
Cu4 Se6 Cu4 46.63(15) . 2_666 ?
Zr2 Se6 Cu4 133.62(10) . 2_666 ?
Cu5 Se6 Sr1 82.91(7) . 1_655 ?
Cu3 Se6 Sr1 163.34(7) . 1_655 ?
Cu4 Se6 Sr1 122.89(10) . 1_655 ?
Zr2 Se6 Sr1 106.12(6) . 1_655 ?
Cu4 Se6 Sr1 90.88(10) 2_666 1_655 ?
Cu5 Se6 Sr3 162.45(7) . . ?
Cu3 Se6 Sr3 80.16(7) . . ?
Cu4 Se6 Sr3 95.11(10) . . ?
Zr2 Se6 Sr3 97.39(6) . . ?
Cu4 Se6 Sr3 127.75(9) 2_666 . ?
Sr1 Se6 Sr3 83.38(5) 1_655 . ?
Cu4 Se7 Cu5 68.09(12) . 2_666 ?
Cu4 Se7 Zr1 75.31(10) . . ?
Cu5 Se7 Zr1 79.63(7) 2_666 . ?
Cu4 Se7 Sr2 150.33(12) . 2_666 ?
Cu5 Se7 Sr2 82.37(6) 2_666 2_666 ?
Zr1 Se7 Sr2 97.32(6) . 2_666 ?
Cu4 Se7 Sr1 93.72(11) . 2_666 ?
Cu5 Se7 Sr1 75.90(6) 2_666 2_666 ?
Zr1 Se7 Sr1 155.47(6) . 2_666 ?
Sr2 Se7 Sr1 81.30(5) 2_666 2_666 ?
Cu4 Se7 Sr3 94.38(11) . . ?
Cu5 Se7 Sr3 162.41(7) 2_666 . ?
Zr1 Se7 Sr3 97.75(6) . . ?
Sr2 Se7 Sr3 115.21(5) 2_666 . ?
Sr1 Se7 Sr3 105.02(5) 2_666 . ?
Cu2 Se8 Zr1 80.08(7) 2_665 2_665 ?
Cu2 Se8 Zr1 76.64(7) 2_665 1_655 ?
Zr1 Se8 Zr1 97.50(5) 2_665 1_655 ?
Cu2 Se8 Sr2 78.29(7) 2_665 1_554 ?
Zr1 Se8 Sr2 89.65(5) 2_665 1_554 ?
Zr1 Se8 Sr2 152.27(5) 1_655 1_554 ?
Cu2 Se8 Sr2 171.38(6) 2_665 2_666 ?
Zr1 Se8 Sr2 93.78(5) 2_665 2_666 ?
Zr1 Se8 Sr2 98.35(6) 1_655 2_666 ?
Sr2 Se8 Sr2 107.91(5) 1_554 2_666 ?
Cu2 Se8 Sr3 75.96(6) 2_665 . ?
Zr1 Se8 Sr3 154.22(5) 2_665 . ?
Zr1 Se8 Sr3 86.19(5) 1_655 . ?
Sr2 Se8 Sr3 76.36(5) 1_554 . ?
Sr2 Se8 Sr3 111.00(5) 2_666 . ?
Cu1 Se9 Cu3 67.15(12) 1_655 1_655 ?
Cu1 Se9 Zr2 74.92(9) 1_655 1_655 ?
Cu3 Se9 Zr2 75.63(7) 1_655 1_655 ?
Cu1 Se9 Sr1 146.37(12) 1_655 1_655 ?
Cu3 Se9 Sr1 79.47(7) 1_655 1_655 ?
Zr2 Se9 Sr1 93.53(6) 1_655 1_655 ?
Cu1 Se9 Sr3 93.01(9) 1_655 . ?
Cu3 Se9 Sr3 77.31(6) 1_655 . ?
Zr2 Se9 Sr3 152.88(6) 1_655 . ?
Sr1 Se9 Sr3 83.19(5) 1_655 . ?
Cu1 Se9 Sr2 92.60(12) 1_655 2_656 ?
Cu3 Se9 Sr2 159.61(8) 1_655 2_656 ?
Zr2 Se9 Sr2 102.14(5) 1_655 2_656 ?
Sr1 Se9 Sr2 120.89(6) 1_655 2_656 ?
Sr3 Se9 Sr2 102.60(5) . 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 Se9 3.081(2) 1_455 ?
Sr1 Se2 3.1280(19) 2_566 ?
Sr1 Se1 3.1674(19) 2_566 ?
Sr1 Se6 3.192(2) 1_455 ?
Sr1 Se1 3.2166(19) . ?
Sr1 Se7 3.222(2) 2_666 ?
Sr1 Se4 3.3299(19) . ?
Sr1 Cu5 3.541(2) . ?
Sr1 Cu3 3.556(3) . ?
Sr1 Se4 3.614(2) 2_556 ?
Sr1 Cu5 3.784(2) 1_455 ?
Sr1 Sr2 4.101(2) . ?
Sr2 Se5 3.0322(18) 2_666 ?
Sr2 Se2 3.0655(19) 2_566 ?
Sr2 Se7 3.0707(19) 2_666 ?
Sr2 Se3 3.1133(19) 1_556 ?
Sr2 Se8 3.291(2) 1_556 ?
Sr2 Se4 3.293(2) . ?
Sr2 Se8 3.3100(19) 2_666 ?
Sr2 Se9 3.335(2) 2_656 ?
Sr2 Cu2 3.606(2) 2_566 ?
Sr2 Cu2 3.661(2) 2_666 ?
Sr2 Cu5 3.665(2) . ?
Sr3 Se1 3.073(2) 1_655 ?
Sr3 Se5 3.142(2) 1_545 ?
Sr3 Se3 3.180(2) . ?
Sr3 Se6 3.214(2) . ?
Sr3 Se5 3.228(2) 2_665 ?
Sr3 Se9 3.329(2) . ?
Sr3 Se8 3.3520(19) . ?
Sr3 Se7 3.4277(19) . ?
Sr3 Cu2 3.621(2) 2_665 ?
Sr3 Cu3 3.663(3) 1_655 ?
Sr3 Cu3 3.715(2) . ?
Zr1 Se7 2.6342(19) . ?
Zr1 Se1 2.6681(18) . ?
Zr1 Se3 2.7021(17) . ?
Zr1 Se2 2.7701(17) . ?
Zr1 Se8 2.7765(18) 2_665 ?
Zr1 Se8 2.7982(19) 1_455 ?
Zr1 Cu4 3.076(4) . ?
Zr1 Cu3 3.170(2) . ?
Zr1 Cu2 3.241(3) 2_565 ?
Zr1 Cu5 3.259(3) 2_666 ?
Zr1 Cu2 3.345(2) . ?
Zr2 Se9 2.6358(17) 1_455 ?
Zr2 Se6 2.6821(18) . ?
Zr2 Se5 2.6982(18) 1_545 ?
Zr2 Se4 2.7515(18) . ?
Zr2 Se4 2.7919(18) 2_656 ?
Zr2 Se2 2.8083(18) 1_545 ?
Zr2 Cu1 3.061(4) . ?
Zr2 Cu3 3.108(2) . ?
Zr2 Cu5 3.174(3) . ?
Zr2 Cu2 3.288(3) 1_545 ?
Cu1 Cu1 2.193(6) 2 ?
Cu1 Se9 2.386(4) 1_455 ?
Cu1 Se5 2.388(4) 1_545 ?
Cu1 Se3 2.619(4) . ?
Cu1 Se3 2.657(5) 2 ?
Cu1 Cu3 2.661(5) . ?
Cu1 Cu2 2.687(4) 1_545 ?
Cu2 Se8 2.405(2) 2_665 ?
Cu2 Se2 2.451(3) . ?
Cu2 Se5 2.452(2) . ?
Cu2 Se3 2.476(3) 2_565 ?
Cu3 Se9 2.426(2) 1_455 ?
Cu3 Se1 2.436(2) . ?
Cu3 Se6 2.492(3) . ?
Cu3 Se3 2.498(3) . ?
Cu3 Cu4 2.621(5) . ?
Cu4 Cu4 2.101(7) 2_666 ?
Cu4 Se7 2.390(4) . ?
Cu4 Se1 2.411(4) . ?
Cu4 Se6 2.623(4) . ?
Cu4 Se6 2.682(5) 2_666 ?
Cu4 Cu5 2.711(4) 2_666 ?
Cu5 Se4 2.415(2) . ?
Cu5 Se7 2.450(2) 2_666 ?
Cu5 Se2 2.451(2) 2_666 ?
Cu5 Se6 2.463(2) . ?
