#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/66/7026687.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_7026687
loop_
_publ_author_name
'Saparov, Bayrammurad'
'Bobev, Svilen'
_publ_section_title
;
 Synthesis, crystal and electronic structures of the new quaternary phases
 A5Cd2Sb5F (A = Sr, Ba, Eu), and Ba5Cd2Sb5O(x) (0.5<x<0.7).
;
_journal_issue                   47
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11335
_journal_page_last               11343
_journal_paper_doi               10.1039/c0dt00595a
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'Cd2 Sb5, F, 5(Sr) '
_chemical_formula_sum            'Cd2 F Sb5 Sr5'
_chemical_formula_weight         1290.65
_chemical_name_systematic
;
?
;
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   4.7580(19)
_cell_length_b                   22.145(9)
_cell_length_c                   14.727(6)
_cell_measurement_reflns_used    1141
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      28.46
_cell_measurement_theta_min      1.84
_cell_volume                     1551.7(11)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0398
_diffrn_reflns_av_sigmaI/netI    0.0206
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            10664
_diffrn_reflns_theta_full        28.46
_diffrn_reflns_theta_max         28.46
_diffrn_reflns_theta_min         1.84
_exptl_absorpt_coefficient_mu    28.229
_exptl_absorpt_correction_T_max  0.3215
_exptl_absorpt_correction_T_min  0.1810
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS (Sheldrick, 2003)
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    5.524
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             2200
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.994
_refine_diff_density_min         -1.129
_refine_diff_density_rms         0.268
_refine_ls_extinction_coef       0.000284(18)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_matrix_type           full
_refine_ls_number_parameters     46
_refine_ls_number_reflns         1141
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0217
_refine_ls_R_factor_gt           0.0167
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0159P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0347
_refine_ls_wR_factor_ref         0.0355
_reflns_number_gt                1008
_reflns_number_total             1141
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt00595a.txt
_cod_data_source_block           Sr5Cd2Sb5F
_cod_original_cell_volume        1551.8(11)
_cod_original_sg_symbol_Hall     -C2c2
_cod_original_sg_symbol_H-M      Cmcm
_cod_database_code               7026687
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y, -z+1/2'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z-1/2'
'x, -y, z-1/2'
'-x, y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z-1/2'
'x+1/2, -y+1/2, z-1/2'
'-x+1/2, y+1/2, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Sb1 Sb 0.0000 0.149360(15) 0.01877(2) 0.00847(9) Uani 1 2 d S
Sb2 Sb 0.0000 0.494566(14) 0.15472(2) 0.00940(9) Uani 1 2 d S
Sb3 Sb 0.0000 0.29342(2) 0.2500 0.00824(11) Uani 1 4 d S
Cd1 Cd 0.0000 0.367921(16) 0.08579(2) 0.01001(9) Uani 1 2 d S
Sr1 Sr 0.0000 0.27137(2) 0.61987(3) 0.00895(11) Uani 1 2 d S
Sr2 Sr 0.0000 0.10062(3) 0.2500 0.01104(15) Uani 1 4 d S
Sr3 Sr 0.0000 0.90247(3) 0.2500 0.00924(14) Uani 1 4 d S
Sr4 Sr 0.0000 0.0000 0.0000 0.00922(14) Uani 1 4 d S
F1 F 0.0000 0.65550(17) 0.2500 0.0127(9) Uani 1 4 d S
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
F F 0.0171 0.0103 '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'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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
Cd1 Sb1 Cd1 112.60(3) 13_455 13
Cd1 Sb1 Sr1 155.652(18) 13_455 6_554
Cd1 Sb1 Sr1 73.46(3) 13 6_554
Cd1 Sb1 Sr1 73.46(3) 13_455 6_454
Cd1 Sb1 Sr1 155.652(18) 13 6_454
Sr1 Sb1 Sr1 91.89(3) 6_554 6_454
Cd1 Sb1 Sr4 79.735(11) 13_455 .
Cd1 Sb1 Sr4 79.735(11) 13 .
Sr1 Sb1 Sr4 124.465(16) 6_554 .
Sr1 Sb1 Sr4 124.465(16) 6_454 .
Cd1 Sb1 Sr1 77.415(19) 13_455 10_556
Cd1 Sb1 Sr1 77.415(19) 13 10_556
Sr1 Sb1 Sr1 81.26(3) 6_554 10_556
Sr1 Sb1 Sr1 81.26(3) 6_454 10_556
Sr4 Sb1 Sr1 138.15(2) . 10_556
Cd1 Sb1 Sr2 118.222(18) 13_455 .
Cd1 Sb1 Sr2 118.222(18) 13 .
Sr1 Sb1 Sr2 74.42(2) 6_554 .
Sr1 Sb1 Sr2 74.42(2) 6_454 .
Sr4 Sb1 Sr2 77.190(17) . .
Sr1 Sb1 Sr2 144.663(18) 10_556 .
Sb2 Sb2 Cd1 109.898(15) 10_556 .
Sb2 Sb2 Sr4 133.729(16) 10_556 5_455
Cd1 Sb2 Sr4 78.409(13) . 5_455
Sb2 Sb2 Sr4 133.729(17) 10_556 5
Cd1 Sb2 Sr4 78.409(14) . 5
Sr4 Sb2 Sr4 92.39(3) 5_455 5
Sb2 Sb2 Sr3 65.877(12) 10_556 5_445
Cd1 Sb2 Sr3 65.20(2) . 5_445
Sr4 Sb2 Sr3 78.70(3) 5_455 5_445
Sr4 Sb2 Sr3 143.540(18) 5 5_445
Sb2 Sb2 Sr3 65.877(12) 10_556 5_545
Cd1 Sb2 Sr3 65.20(2) . 5_545
Sr4 Sb2 Sr3 143.540(18) 5_455 5_545
Sr4 Sb2 Sr3 78.70(3) 5 5_545
Sr3 Sb2 Sr3 87.72(3) 5_445 5_545
Sb2 Sb2 Sr2 67.229(12) 10_556 5
Cd1 Sb2 Sr2 137.803(16) . 5
Sr4 Sb2 Sr2 135.845(19) 5_455 5
Sr4 Sb2 Sr2 76.72(2) 5 5
Sr3 Sb2 Sr2 132.94(2) 5_445 5
Sr3 Sb2 Sr2 76.82(3) 5_545 5
Sb2 Sb2 Sr2 67.229(12) 10_556 5_455
Cd1 Sb2 Sr2 137.803(16) . 5_455
Sr4 Sb2 Sr2 76.72(2) 5_455 5_455
Sr4 Sb2 Sr2 135.845(19) 5 5_455
Sr3 Sb2 Sr2 76.82(3) 5_445 5_455
Sr3 Sb2 Sr2 132.94(2) 5_545 5_455
Sr2 Sb2 Sr2 82.02(3) 5 5_455
Cd1 Sb3 Cd1 111.39(4) . 10_556
Cd1 Sb3 Sr1 76.73(2) . 6_454
Cd1 Sb3 Sr1 135.124(15) 10_556 6_454
Cd1 Sb3 Sr1 135.124(15) . 13_556
Cd1 Sb3 Sr1 76.73(2) 10_556 13_556
Sr1 Sb3 Sr1 129.69(3) 6_454 13_556
Cd1 Sb3 Sr1 135.124(15) . 13_456
Cd1 Sb3 Sr1 76.73(2) 10_556 13_456
Sr1 Sb3 Sr1 69.20(3) 6_454 13_456
Sr1 Sb3 Sr1 89.64(3) 13_556 13_456
Cd1 Sb3 Sr1 76.73(2) . 6_554
Cd1 Sb3 Sr1 135.124(16) 10_556 6_554
Sr1 Sb3 Sr1 89.64(3) 6_454 6_554
Sr1 Sb3 Sr1 69.20(3) 13_556 6_554
Sr1 Sb3 Sr1 129.69(3) 13_456 6_554
Cd1 Sb3 Sr3 66.328(17) . 5_545
Cd1 Sb3 Sr3 66.328(17) 10_556 5_545
Sr1 Sb3 Sr3 142.892(16) 6_454 5_545
Sr1 Sb3 Sr3 78.94(3) 13_556 5_545
Sr1 Sb3 Sr3 142.892(16) 13_456 5_545
Sr1 Sb3 Sr3 78.94(3) 6_554 5_545
Cd1 Sb3 Sr3 66.328(18) . 5_445
Cd1 Sb3 Sr3 66.328(17) 10_556 5_445
Sr1 Sb3 Sr3 78.94(3) 6_454 5_445
Sr1 Sb3 Sr3 142.892(16) 13_556 5_445
Sr1 Sb3 Sr3 78.94(3) 13_456 5_445
Sr1 Sb3 Sr3 142.892(16) 6_554 5_445
Sr3 Sb3 Sr3 89.14(4) 5_545 5_445
Sb1 Cd1 Sb1 112.59(3) 13_455 13
Sb1 Cd1 Sb3 111.680(19) 13_455 .
Sb1 Cd1 Sb3 111.680(19) 13 .
Sb1 Cd1 Sb2 108.006(14) 13_455 .
Sb1 Cd1 Sb2 108.006(13) 13 .
Sb3 Cd1 Sb2 104.41(3) . .
Sb1 Cd1 Sr3 166.668(12) 13_455 5_545
Sb1 Cd1 Sr3 80.49(3) 13 5_545
Sb3 Cd1 Sr3 63.23(2) . 5_545
Sb2 Cd1 Sr3 63.668(14) . 5_545
Sb1 Cd1 Sr3 80.49(3) 13_455 5_445
Sb1 Cd1 Sr3 166.668(12) 13 5_445
Sb3 Cd1 Sr3 63.23(2) . 5_445
Sb2 Cd1 Sr3 63.668(14) . 5_445
Sr3 Cd1 Sr3 86.33(3) 5_545 5_445
Sb1 Cd1 Sr1 58.861(17) 13_455 10_556
Sb1 Cd1 Sr1 58.861(16) 13 10_556
Sb3 Cd1 Sr1 110.48(3) . 10_556
Sb2 Cd1 Sr1 145.116(16) . 10_556
Sr3 Cd1 Sr1 134.028(17) 5_545 10_556
Sr3 Cd1 Sr1 134.028(17) 5_445 10_556
Sb1 Cd1 Sr1 57.303(18) 13_455 6_454
Sb1 Cd1 Sr1 117.88(2) 13 6_454
Sb3 Cd1 Sr1 56.758(16) . 6_454
Sb2 Cd1 Sr1 134.026(19) . 6_454
Sr3 Cd1 Sr1 119.89(2) 5_545 6_454
Sr3 Cd1 Sr1 70.71(2) 5_445 6_454
Sr1 Cd1 Sr1 69.60(2) 10_556 6_454
Sb1 Cd1 Sr1 117.88(2) 13_455 6_554
Sb1 Cd1 Sr1 57.303(17) 13 6_554
Sb3 Cd1 Sr1 56.758(16) . 6_554
Sb2 Cd1 Sr1 134.026(19) . 6_554
Sr3 Cd1 Sr1 70.71(2) 5_545 6_554
Sr3 Cd1 Sr1 119.89(2) 5_445 6_554
Sr1 Cd1 Sr1 69.60(2) 10_556 6_554
Sr1 Cd1 Sr1 74.56(3) 6_454 6_554
Sb1 Cd1 Sr4 115.15(2) 13_455 5
Sb1 Cd1 Sr4 55.22(2) 13 5
Sb3 Cd1 Sr4 132.614(13) . 5
Sb2 Cd1 Sr4 54.30(2) . 5
Sr3 Cd1 Sr4 69.50(2) 5_545 5
Sr3 Cd1 Sr4 117.93(2) 5_445 5
Sr1 Cd1 Sr4 99.47(2) 10_556 5
Sr1 Cd1 Sr4 168.721(13) 6_454 5
Sr1 Cd1 Sr4 104.83(3) 6_554 5
Sb1 Cd1 Sr4 55.22(2) 13_455 5_455
Sb1 Cd1 Sr4 115.15(2) 13 5_455
Sb3 Cd1 Sr4 132.614(13) . 5_455
Sb2 Cd1 Sr4 54.30(2) . 5_455
Sr3 Cd1 Sr4 117.93(2) 5_545 5_455
Sr3 Cd1 Sr4 69.50(2) 5_445 5_455
Sr1 Cd1 Sr4 99.47(2) 10_556 5_455
Sr1 Cd1 Sr4 104.83(3) 6_454 5_455
Sr1 Cd1 Sr4 168.721(13) 6_554 5_455
Sr4 Cd1 Sr4 73.49(3) 5 5_455
F1 Sr1 Sb1 90.08(5) 9_566 6
F1 Sr1 Sb1 90.08(5) 9_566 6_455
Sb1 Sr1 Sb1 91.89(3) 6 6_455
F1 Sr1 Sb3 80.83(5) 9_566 13_556
Sb1 Sr1 Sb3 88.53(3) 6 13_556
Sb1 Sr1 Sb3 170.898(18) 6_455 13_556
F1 Sr1 Sb3 80.83(5) 9_566 13_456
Sb1 Sr1 Sb3 170.898(18) 6 13_456
Sb1 Sr1 Sb3 88.53(3) 6_455 13_456
Sb3 Sr1 Sb3 89.64(3) 13_556 13_456
F1 Sr1 Sb1 167.27(7) 9_566 10_556
Sb1 Sr1 Sb1 98.74(3) 6 10_556
Sb1 Sr1 Sb1 98.74(3) 6_455 10_556
Sb3 Sr1 Sb1 90.18(3) 13_556 10_556
Sb3 Sr1 Sb1 90.18(3) 13_456 10_556
F1 Sr1 Cd1 104.58(8) 9_566 10_556
Sb1 Sr1 Cd1 47.680(15) 6 10_556
Sb1 Sr1 Cd1 47.680(15) 6_455 10_556
Sb3 Sr1 Cd1 135.159(15) 13_556 10_556
Sb3 Sr1 Cd1 135.159(15) 13_456 10_556
Sb1 Sr1 Cd1 88.14(3) 10_556 10_556
F1 Sr1 Sr1 40.20(7) 9_566 10_557
Sb1 Sr1 Sr1 116.731(15) 6 10_557
Sb1 Sr1 Sr1 116.731(15) 6_455 10_557
Sb3 Sr1 Sr1 55.400(15) 13_556 10_557
Sb3 Sr1 Sr1 55.400(15) 13_456 10_557
Sb1 Sr1 Sr1 127.076(19) 10_556 10_557
Cd1 Sr1 Sr1 144.782(18) 10_556 10_557
F1 Sr1 Cd1 127.19(5) 9_566 6_455
Sb1 Sr1 Cd1 142.59(2) 6 6_455
Sb1 Sr1 Cd1 85.62(3) 6_455 6_455
Sb3 Sr1 Cd1 99.53(3) 13_556 6_455
Sb3 Sr1 Cd1 46.508(17) 13_456 6_455
Sb1 Sr1 Cd1 45.282(17) 10_556 6_455
Cd1 Sr1 Cd1 110.40(2) 10_556 6_455
Sr1 Sr1 Cd1 97.341(9) 10_557 6_455
F1 Sr1 Cd1 127.19(5) 9_566 6
Sb1 Sr1 Cd1 85.62(3) 6 6
Sb1 Sr1 Cd1 142.59(2) 6_455 6
Sb3 Sr1 Cd1 46.508(17) 13_556 6
Sb3 Sr1 Cd1 99.53(3) 13_456 6
Sb1 Sr1 Cd1 45.282(17) 10_556 6
Cd1 Sr1 Cd1 110.40(2) 10_556 6
Sr1 Sr1 Cd1 97.341(9) 10_557 6
Cd1 Sr1 Cd1 74.56(3) 6_455 6
F1 Sr1 Sr2 37.79(3) 9_566 13_556
Sb1 Sr1 Sr2 55.66(2) 6 13_556
Sb1 Sr1 Sr2 104.86(3) 6_455 13_556
Sb3 Sr1 Sr2 68.02(3) 13_556 13_556
Sb3 Sr1 Sr2 115.49(3) 13_456 13_556
Sb1 Sr1 Sr2 145.078(14) 10_556 13_556
Cd1 Sr1 Sr2 89.05(3) 10_556 13_556
Sr1 Sr1 Sr2 62.623(13) 10_557 13_556
Cd1 Sr1 Sr2 159.838(16) 6_455 13_556
Cd1 Sr1 Sr2 104.31(3) 6 13_556
F1 Sr1 Sr2 37.79(3) 9_566 13_456
Sb1 Sr1 Sr2 104.86(3) 6 13_456
Sb1 Sr1 Sr2 55.66(2) 6_455 13_456
Sb3 Sr1 Sr2 115.49(3) 13_556 13_456
Sb3 Sr1 Sr2 68.02(3) 13_456 13_456
Sb1 Sr1 Sr2 145.078(14) 10_556 13_456
Cd1 Sr1 Sr2 89.05(3) 10_556 13_456
Sr1 Sr1 Sr2 62.623(13) 10_557 13_456
Cd1 Sr1 Sr2 104.31(3) 6_455 13_456
Cd1 Sr1 Sr2 159.838(16) 6 13_456
Sr2 Sr1 Sr2 69.62(3) 13_556 13_456
F1 Sr2 F1 125.88(15) 5_545 5_445
F1 Sr2 Sb1 82.10(2) 5_545 10_556
F1 Sr2 Sb1 82.10(2) 5_445 10_556
F1 Sr2 Sb1 82.10(2) 5_545 .
F1 Sr2 Sb1 82.10(2) 5_445 .
Sb1 Sr2 Sb1 144.83(3) 10_556 .
F1 Sr2 Sb2 151.53(5) 5_545 5_445
F1 Sr2 Sb2 73.16(7) 5_445 5_445
Sb1 Sr2 Sb2 124.379(12) 10_556 5_445
Sb1 Sr2 Sb2 80.025(19) . 5_445
F1 Sr2 Sb2 151.53(5) 5_545 14_446
F1 Sr2 Sb2 73.16(7) 5_445 14_446
Sb1 Sr2 Sb2 80.025(19) 10_556 14_446
Sb1 Sr2 Sb2 124.379(12) . 14_446
Sb2 Sr2 Sb2 45.54(2) 5_445 14_446
F1 Sr2 Sb2 73.16(7) 5_545 5_545
F1 Sr2 Sb2 151.53(5) 5_445 5_545
Sb1 Sr2 Sb2 124.379(12) 10_556 5_545
Sb1 Sr2 Sb2 80.025(19) . 5_545
Sb2 Sr2 Sb2 82.02(3) 5_445 5_545
Sb2 Sr2 Sb2 99.25(3) 14_446 5_545
F1 Sr2 Sb2 73.16(7) 5_545 14_546
F1 Sr2 Sb2 151.53(5) 5_445 14_546
Sb1 Sr2 Sb2 80.025(18) 10_556 14_546
Sb1 Sr2 Sb2 124.379(12) . 14_546
Sb2 Sr2 Sb2 99.25(3) 5_445 14_546
Sb2 Sr2 Sb2 82.02(3) 14_446 14_546
Sb2 Sr2 Sb2 45.54(2) 5_545 14_546
F1 Sr2 Sr1 35.13(5) 5_545 13_556
F1 Sr2 Sr1 101.47(7) 5_445 13_556
Sb1 Sr2 Sr1 49.919(11) 10_556 13_556
Sb1 Sr2 Sr1 103.46(2) . 13_556
Sb2 Sr2 Sr1 173.305(8) 5_445 13_556
Sb2 Sr2 Sr1 129.59(2) 14_446 13_556
Sb2 Sr2 Sr1 104.12(3) 5_545 13_556
Sb2 Sr2 Sr1 83.57(3) 14_546 13_556
F1 Sr2 Sr1 35.13(5) 5_545 6_554
F1 Sr2 Sr1 101.47(7) 5_445 6_554
Sb1 Sr2 Sr1 103.46(2) 10_556 6_554
Sb1 Sr2 Sr1 49.919(11) . 6_554
Sb2 Sr2 Sr1 129.59(2) 5_445 6_554
Sb2 Sr2 Sr1 173.305(8) 14_446 6_554
Sb2 Sr2 Sr1 83.57(3) 5_545 6_554
Sb2 Sr2 Sr1 104.12(3) 14_546 6_554
Sr1 Sr2 Sr1 54.75(3) 13_556 6_554
F1 Sr2 Sr1 101.47(7) 5_545 13_456
F1 Sr2 Sr1 35.13(5) 5_445 13_456
Sb1 Sr2 Sr1 49.919(11) 10_556 13_456
Sb1 Sr2 Sr1 103.46(2) . 13_456
Sb2 Sr2 Sr1 104.12(3) 5_445 13_456
Sb2 Sr2 Sr1 83.57(3) 14_446 13_456
Sb2 Sr2 Sr1 173.305(8) 5_545 13_456
Sb2 Sr2 Sr1 129.59(2) 14_546 13_456
Sr1 Sr2 Sr1 69.62(3) 13_556 13_456
Sr1 Sr2 Sr1 94.28(3) 6_554 13_456
F1 Sr2 Sr1 101.47(7) 5_545 6_454
F1 Sr2 Sr1 35.13(5) 5_445 6_454
Sb1 Sr2 Sr1 103.46(2) 10_556 6_454
Sb1 Sr2 Sr1 49.919(12) . 6_454
Sb2 Sr2 Sr1 83.57(3) 5_445 6_454
Sb2 Sr2 Sr1 104.12(3) 14_446 6_454
Sb2 Sr2 Sr1 129.59(2) 5_545 6_454
Sb2 Sr2 Sr1 173.305(8) 14_546 6_454
Sr1 Sr2 Sr1 94.28(3) 13_556 6_454
Sr1 Sr2 Sr1 69.62(3) 6_554 6_454
Sr1 Sr2 Sr1 54.75(3) 13_456 6_454
Sb3 Sr3 Sb3 89.14(4) 5_455 5
Sb3 Sr3 Sb2 155.429(13) 5_455 14_556
Sb3 Sr3 Sb2 86.38(3) 5 14_556
Sb3 Sr3 Sb2 155.429(13) 5_455 5
Sb3 Sr3 Sb2 86.38(3) 5 5
Sb2 Sr3 Sb2 48.24(2) 14_556 5
Sb3 Sr3 Sb2 86.38(3) 5_455 14_456
Sb3 Sr3 Sb2 155.429(13) 5 14_456
Sb2 Sr3 Sb2 87.72(3) 14_556 14_456
Sb2 Sr3 Sb2 107.11(3) 5 14_456
Sb3 Sr3 Sb2 86.38(3) 5_455 5_455
Sb3 Sr3 Sb2 155.429(13) 5 5_455
Sb2 Sr3 Sb2 107.11(3) 14_556 5_455
Sb2 Sr3 Sb2 87.72(3) 5 5_455
Sb2 Sr3 Sb2 48.24(2) 14_456 5_455
Sb3 Sr3 Cd1 50.444(16) 5_455 5_455
Sb3 Sr3 Cd1 108.87(3) 5 5_455
Sb2 Sr3 Cd1 152.737(19) 14_556 5_455
Sb2 Sr3 Cd1 108.69(3) 5 5_455
Sb2 Sr3 Cd1 86.61(3) 14_456 5_455
Sb2 Sr3 Cd1 51.13(2) 5_455 5_455
Sb3 Sr3 Cd1 108.87(3) 5_455 14_556
Sb3 Sr3 Cd1 50.444(16) 5 14_556
Sb2 Sr3 Cd1 51.13(2) 14_556 14_556
Sb2 Sr3 Cd1 86.61(3) 5 14_556
Sb2 Sr3 Cd1 108.69(3) 14_456 14_556
Sb2 Sr3 Cd1 152.737(19) 5_455 14_556
Cd1 Sr3 Cd1 154.58(3) 5_455 14_556
Sb3 Sr3 Cd1 108.87(3) 5_455 5
Sb3 Sr3 Cd1 50.444(16) 5 5
Sb2 Sr3 Cd1 86.61(3) 14_556 5
Sb2 Sr3 Cd1 51.13(2) 5 5
Sb2 Sr3 Cd1 152.737(19) 14_456 5
Sb2 Sr3 Cd1 108.69(3) 5_455 5
Cd1 Sr3 Cd1 86.33(3) 5_455 5
Cd1 Sr3 Cd1 88.12(3) 14_556 5
Sb3 Sr3 Cd1 50.444(16) 5_455 14_456
Sb3 Sr3 Cd1 108.87(3) 5 14_456
Sb2 Sr3 Cd1 108.69(3) 14_556 14_456
Sb2 Sr3 Cd1 152.737(19) 5 14_456
Sb2 Sr3 Cd1 51.13(2) 14_456 14_456
Sb2 Sr3 Cd1 86.61(3) 5_455 14_456
Cd1 Sr3 Cd1 88.12(3) 5_455 14_456
Cd1 Sr3 Cd1 86.33(3) 14_556 14_456
Cd1 Sr3 Cd1 154.58(3) 5 14_456
Sb3 Sr3 Sr4 111.128(14) 5_455 2_565
Sb3 Sr3 Sr4 111.128(14) 5 2_565
Sb2 Sr3 Sr4 49.227(13) 14_556 2_565
Sb2 Sr3 Sr4 92.98(2) 5 2_565
Sb2 Sr3 Sr4 49.227(13) 14_456 2_565
Sb2 Sr3 Sr4 92.98(2) 5_455 2_565
Cd1 Sr3 Sr4 135.329(17) 5_455 2_565
Cd1 Sr3 Sr4 60.76(2) 14_556 2_565
Cd1 Sr3 Sr4 135.329(17) 5 2_565
Cd1 Sr3 Sr4 60.76(2) 14_456 2_565
Sb3 Sr3 Sr4 111.128(14) 5_455 1_565
Sb3 Sr3 Sr4 111.128(14) 5 1_565
Sb2 Sr3 Sr4 92.98(2) 14_556 1_565
Sb2 Sr3 Sr4 49.227(13) 5 1_565
Sb2 Sr3 Sr4 92.98(2) 14_456 1_565
Sb2 Sr3 Sr4 49.227(13) 5_455 1_565
Cd1 Sr3 Sr4 60.76(2) 5_455 1_565
Cd1 Sr3 Sr4 135.329(17) 14_556 1_565
Cd1 Sr3 Sr4 60.76(2) 5 1_565
Cd1 Sr3 Sr4 135.329(17) 14_456 1_565
Sr4 Sr3 Sr4 119.21(3) 2_565 1_565
Sb2 Sr4 Sb2 180.000(14) 13_455 5_545
Sb2 Sr4 Sb2 92.39(3) 13_455 13
Sb2 Sr4 Sb2 87.61(3) 5_545 13
Sb2 Sr4 Sb2 87.61(3) 13_455 5_445
Sb2 Sr4 Sb2 92.39(3) 5_545 5_445
Sb2 Sr4 Sb2 180.000(14) 13 5_445
Sb2 Sr4 Sb1 91.214(7) 13_455 .
Sb2 Sr4 Sb1 88.786(7) 5_545 .
Sb2 Sr4 Sb1 91.214(8) 13 .
Sb2 Sr4 Sb1 88.786(8) 5_445 .
Sb2 Sr4 Sb1 88.785(8) 13_455 9
Sb2 Sr4 Sb1 91.215(8) 5_545 9
Sb2 Sr4 Sb1 88.785(8) 13 9
Sb2 Sr4 Sb1 91.215(8) 5_445 9
Sb1 Sr4 Sb1 180.0 . 9
Sb2 Sr4 Cd1 100.68(2) 13_455 13
Sb2 Sr4 Cd1 79.32(2) 5_545 13
Sb2 Sr4 Cd1 47.291(15) 13 13
Sb2 Sr4 Cd1 132.709(14) 5_445 13
Sb1 Sr4 Cd1 45.043(16) . 13
Sb1 Sr4 Cd1 134.956(16) 9 13
Sb2 Sr4 Cd1 79.32(2) 13_455 5_445
Sb2 Sr4 Cd1 100.68(2) 5_545 5_445
Sb2 Sr4 Cd1 132.709(14) 13 5_445
Sb2 Sr4 Cd1 47.291(15) 5_445 5_445
Sb1 Sr4 Cd1 134.957(16) . 5_445
Sb1 Sr4 Cd1 45.044(16) 9 5_445
Cd1 Sr4 Cd1 180.000(7) 13 5_445
Sb2 Sr4 Cd1 47.291(15) 13_455 13_455
Sb2 Sr4 Cd1 132.709(14) 5_545 13_455
Sb2 Sr4 Cd1 100.68(2) 13 13_455
Sb2 Sr4 Cd1 79.32(2) 5_445 13_455
Sb1 Sr4 Cd1 45.043(16) . 13_455
Sb1 Sr4 Cd1 134.956(16) 9 13_455
Cd1 Sr4 Cd1 73.49(3) 13 13_455
Cd1 Sr4 Cd1 106.51(3) 5_445 13_455
Sb2 Sr4 Cd1 132.709(14) 13_455 5_545
Sb2 Sr4 Cd1 47.291(15) 5_545 5_545
Sb2 Sr4 Cd1 79.32(2) 13 5_545
Sb2 Sr4 Cd1 100.68(2) 5_445 5_545
Sb1 Sr4 Cd1 134.957(16) . 5_545
Sb1 Sr4 Cd1 45.044(16) 9 5_545
Cd1 Sr4 Cd1 106.51(3) 13 5_545
Cd1 Sr4 Cd1 73.49(3) 5_445 5_545
Cd1 Sr4 Cd1 180.000(7) 13_455 5_545
Sb2 Sr4 Sr3 52.069(17) 13_455 9_565
Sb2 Sr4 Sr3 127.931(17) 5_545 9_565
Sb2 Sr4 Sr3 52.069(17) 13 9_565
Sb2 Sr4 Sr3 127.931(17) 5_445 9_565
Sb1 Sr4 Sr3 64.381(19) . 9_565
Sb1 Sr4 Sr3 115.62(2) 9 9_565
Cd1 Sr4 Sr3 49.740(12) 13 9_565
Cd1 Sr4 Sr3 130.260(12) 5_445 9_565
Cd1 Sr4 Sr3 49.740(12) 13_455 9_565
Cd1 Sr4 Sr3 130.260(12) 5_545 9_565
Sb2 Sr4 Sr3 127.931(17) 13_455 1_545
Sb2 Sr4 Sr3 52.069(17) 5_545 1_545
Sb2 Sr4 Sr3 127.931(17) 13 1_545
Sb2 Sr4 Sr3 52.069(17) 5_445 1_545
Sb1 Sr4 Sr3 115.619(19) . 1_545
Sb1 Sr4 Sr3 64.38(2) 9 1_545
Cd1 Sr4 Sr3 130.260(12) 13 1_545
Cd1 Sr4 Sr3 49.740(12) 5_445 1_545
Cd1 Sr4 Sr3 130.260(12) 13_455 1_545
Cd1 Sr4 Sr3 49.740(12) 5_545 1_545
Sr3 Sr4 Sr3 180.000(15) 9_565 1_545
Sr1 F1 Sr1 99.60(14) 9_566 2_564
Sr1 F1 Sr2 107.08(2) 9_566 5_455
Sr1 F1 Sr2 107.08(3) 2_564 5_455
Sr1 F1 Sr2 107.08(2) 9_566 5
Sr1 F1 Sr2 107.08(3) 2_564 5
Sr2 F1 Sr2 125.88(15) 5_455 5
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sb1 Cd1 2.8596(9) 13_455
Sb1 Cd1 2.8596(9) 13
Sb1 Sr1 3.3104(9) 6_554
Sb1 Sr1 3.3104(9) 6_454
Sb1 Sr4 3.3191(14) .
Sb1 Sr1 3.3866(11) 10_556
Sb1 Sr2 3.5724(14) .
Sb2 Sb2 2.8064(13) 10_556
Sb2 Cd1 2.9826(12) .
Sb2 Sr4 3.2964(10) 5_455
Sb2 Sr4 3.2964(10) 5
Sb2 Sr3 3.4333(10) 5_445
Sb2 Sr3 3.4333(10) 5_545
Sb2 Sr2 3.6255(10) 5
Sb2 Sr2 3.6255(10) 5_455
Sb3 Cd1 2.9275(10) .
Sb3 Cd1 2.9276(10) 10_556
Sb3 Sr1 3.3750(9) 6_454
Sb3 Sr1 3.3750(9) 13_556
Sb3 Sr1 3.3750(9) 13_456
Sb3 Sr1 3.3750(9) 6_554
Sb3 Sr3 3.3900(11) 5_545
Sb3 Sr3 3.3900(11) 5_445
Cd1 Sb1 2.8596(9) 13_455
Cd1 Sb1 2.8596(9) 13
Cd1 Sr3 3.4776(10) 5_545
Cd1 Sr3 3.4776(10) 5_445
Cd1 Sr1 3.7076(13) 10_556
Cd1 Sr1 3.9277(12) 6_454
Cd1 Sr1 3.9277(12) 6_554
Cd1 Sr4 3.9763(11) 5
Cd1 Sr4 3.9763(11) 5_455
Sr1 F1 2.509(3) 9_566
Sr1 Sb1 3.3103(9) 6
Sr1 Sb1 3.3103(9) 6_455
Sr1 Sb3 3.3751(9) 13_556
Sr1 Sb3 3.3751(9) 13_456
Sr1 Sb1 3.3867(11) 10_556
Sr1 Cd1 3.7075(13) 10_556
Sr1 Sr1 3.8329(18) 10_557
Sr1 Cd1 3.9277(12) 6_455
Sr1 Cd1 3.9277(12) 6
Sr1 Sr2 4.1676(12) 13_556
Sr1 Sr2 4.1676(12) 13_456
Sr2 F1 2.671(2) 5_545
Sr2 F1 2.671(2) 5_445
Sr2 Sb1 3.5724(14) 10_556
Sr2 Sb2 3.6255(10) 5_445
Sr2 Sb2 3.6255(10) 14_446
Sr2 Sb2 3.6255(10) 5_545
Sr2 Sb2 3.6255(10) 14_546
Sr2 Sr1 4.1676(12) 13_556
Sr2 Sr1 4.1676(12) 6_554
Sr2 Sr1 4.1676(12) 13_456
Sr2 Sr1 4.1676(12) 6_454
Sr3 Sb3 3.3899(11) 5_455
Sr3 Sb3 3.3899(11) 5
Sr3 Sb2 3.4334(9) 14_556
Sr3 Sb2 3.4334(10) 5
Sr3 Sb2 3.4334(10) 14_456
Sr3 Sb2 3.4334(9) 5_455
Sr3 Cd1 3.4776(10) 5_455
Sr3 Cd1 3.4776(10) 14_556
Sr3 Cd1 3.4776(10) 5
Sr3 Cd1 3.4776(10) 14_456
Sr3 Sr4 4.2686(14) 2_565
Sr3 Sr4 4.2686(14) 1_565
Sr4 Sb2 3.2964(10) 13_455
Sr4 Sb2 3.2964(10) 5_545
Sr4 Sb2 3.2964(10) 13
Sr4 Sb2 3.2964(10) 5_445
Sr4 Sb1 3.3191(14) 9
Sr4 Cd1 3.9763(11) 13
Sr4 Cd1 3.9763(11) 5_445
Sr4 Cd1 3.9763(11) 13_455
Sr4 Cd1 3.9763(11) 5_545
Sr4 Sr3 4.2686(14) 9_565
Sr4 Sr3 4.2686(14) 1_545
F1 Sr1 2.509(3) 9_566
F1 Sr1 2.509(3) 2_564
F1 Sr2 2.671(2) 5_455
F1 Sr2 2.671(2) 5
