#------------------------------------------------------------------------------
#$Date: 2025-06-03 21:24:10 +0200 (Tue 03 de Jun de 2025) $
#$Revision: 299922 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/28/2312802.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2312802
loop_
_publ_author_name
'Yamane, Kazuki'
'Matsushita, Yoshitaka'
'Adachi, Shintaro'
'Hiroto, Takanobu'
'Matsumoto, Ryo'
'Terashima, Kensei'
'Sakurai, Hiroya'
'Takano, Yoshihiko'
_publ_section_title
;
 High-pressure synthesis of bilayer nickelate
 Sr₃Ni₂O₅Cl₂ with a tetragonal
 crystal structure.
;
_journal_coeditor_code           DG3068
_journal_issue                   'Pt 5'
_journal_name_full
'Acta crystallographica. Section C, Structural chemistry'
_journal_page_first              259
_journal_page_last               263
_journal_paper_doi               10.1107/S2053229625002281
_journal_volume                  81
_journal_year                    2025
_chemical_formula_iupac          'Sr3 Ni2 O5 Cl2'
_chemical_formula_moiety         'Cl2 Ni2 O5 Sr3'
_chemical_formula_sum            'Cl2 Ni2 O5 Sr3'
_chemical_formula_weight         531.18
_chemical_name_systematic
;
Tristrontium dinickel pentaoxide dichloride
;
_space_group_crystal_system      tetragonal
_space_group_IT_number           139
_space_group_name_Hall           '-I 4 2'
_space_group_name_H-M_alt        'I 4/m m m'
_atom_sites_solution_primary     dual
_audit_creation_method
;
Olex2 1.5-ac6-020
(compiled 2024.02.14 svn.r2f8d729c for Rigaku Oxford Diffraction, GUI svn.r6966)
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.83990(10)
_cell_length_b                   3.83990(10)
_cell_length_c                   24.2936(12)
_cell_measurement_reflns_used    4484
_cell_measurement_temperature    300.8(9)
_cell_measurement_theta_max      44.7420
_cell_measurement_theta_min      3.3270
_cell_volume                     358.21(2)
_computing_cell_refinement
;
CrysAlis PRO (Rigaku OD, 2024)
;
_computing_data_collection
;
CrysAlis PRO (Rigaku OD, 2024)
;
_computing_data_reduction
;
CrysAlis PRO (Rigaku OD, 2024)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov et al.,  2009)
;
_computing_publication_material
;
OLEX2 (Dolomanov et al.,  2009)
;
_computing_structure_refinement
;
SHELXL2018 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT2018 (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      300.8(9)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type
;
Rigaku Synergy Custom DW diffractometer with a HyPix2000 detector
;
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0649
_diffrn_reflns_av_unetI/netI     0.0210
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       48
_diffrn_reflns_limit_l_min       -48
_diffrn_reflns_number            8872
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         44.860
_diffrn_reflns_theta_min         3.354
_diffrn_source                   'Rotating-anode X-ray tube'
_exptl_absorpt_coefficient_mu    28.061
_exptl_absorpt_correction_T_max  0.37985
_exptl_absorpt_correction_T_min  0.34623
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
(CrysAlis PRO; Rigaku OD, 2024)
;
_exptl_crystal_colour            'metallic black'
_exptl_crystal_density_diffrn    4.925
_exptl_crystal_description       block
_exptl_crystal_F_000             488
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.027
_exptl_crystal_size_min          0.019
_refine_diff_density_max         3.442
_refine_diff_density_min         -1.033
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.123
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     18
_refine_ls_number_reflns         500
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.123
_refine_ls_R_factor_all          0.0325
_refine_ls_R_factor_gt           0.0285
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0395P)²+0.6699P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0742
_refine_ls_wR_factor_ref         0.0757
_reflns_number_gt                448
_reflns_number_total             500
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            dg3068sup1.cif
_cod_data_source_block           I
_cod_depositor_comments          'Adding full bibliography for 2312802.cif.'
_cod_original_cell_volume        358.21(3)
_cod_database_code               2312802
_cod_database_fobs_code          2312802
_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.
;
_shelx_estimated_absorpt_t_min   0.486
_shelx_estimated_absorpt_t_max   0.618
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x, z'
'-x, -y, z'
'y, -x, z'
'x, -y, -z'
'y, x, -z'
'-x, y, -z'
'-y, -x, -z'
'x+1/2, y+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'y+1/2, -x+1/2, z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'y+1/2, x+1/2, -z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'-y+1/2, -x+1/2, -z+1/2'
'-x, -y, -z'
'y, -x, -z'
'x, y, -z'
'-y, x, -z'
'-x, y, z'
'-y, -x, z'
'x, -y, z'
'y, x, z'
'-x+1/2, -y+1/2, -z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'-y+1/2, x+1/2, -z+1/2'
'-x+1/2, y+1/2, z+1/2'
'-y+1/2, -x+1/2, z+1/2'
'x+1/2, -y+1/2, z+1/2'
'y+1/2, x+1/2, z+1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni Ni -0.500000 -0.500000 0.42295(2) 0.01226(11) Uani d 1 . .
O O1 -0.500000 -0.500000 0.500000 0.0193(8) Uani d 1 . .
O O2 -0.500000 -1.000000 0.41182(10) 0.0171(4) Uani d 1 . .
Cl Cl -0.500000 -0.500000 0.29525(5) 0.0208(2) Uani d 1 . .
Sr Sr1 0.000000 0.000000 0.500000 0.01719(12) Uani d 1 . .
Sr Sr2 -1.000000 -1.000000 0.34453(2) 0.01499(10) Uani d 1 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sr Sr -1.5307 3.2498 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O1 Ni O2 . . 98.01(7) ?
O1 Ni O2 . 2_355 98.01(7) ?
O1 Ni O2 . 2_455 98.01(7) ?
O1 Ni O2 . 1_565 98.01(7) ?
O1 Ni Sr1 . . 55.417(8) ?
O1 Ni Sr1 . 1_545 55.417(8) ?
O1 Ni Sr1 . 1_445 55.417(7) ?
O1 Ni Sr1 . 1_455 55.417(8) ?
O1 Ni Sr2 . . 125.055(9) ?
O1 Ni Sr2 . 1_665 125.056(9) ?
O1 Ni Sr2 . 1_655 125.056(9) ?
O2 Ni O2 2_355 2_455 163.98(15) ?
O2 Ni O2 . 2_355 88.89(2) ?
O2 Ni O2 . 2_455 88.89(2) ?
O2 Ni O2 2_355 1_565 88.89(2) ?
O2 Ni O2 . 1_565 163.98(15) ?
O2 Ni O2 2_455 1_565 88.89(2) ?
O2 Ni Sr1 2_355 1_455 60.17(5) ?
O2 Ni Sr1 . . 130.96(5) ?
O2 Ni Sr1 2_455 1_455 130.96(5) ?
O2 Ni Sr1 2_355 . 130.96(5) ?
O2 Ni Sr1 . 1_545 60.17(5) ?
O2 Ni Sr1 2_455 . 60.17(5) ?
O2 Ni Sr1 2_455 1_545 60.17(5) ?
O2 Ni Sr1 2_355 1_545 130.96(5) ?
O2 Ni Sr1 1_565 1_455 60.17(5) ?
O2 Ni Sr1 1_565 1_545 130.96(5) ?
O2 Ni Sr1 2_355 1_445 60.17(5) ?
O2 Ni Sr1 2_455 1_445 130.96(5) ?
O2 Ni Sr1 1_565 1_445 130.96(5) ?
O2 Ni Sr1 . 1_445 60.17(5) ?
O2 Ni Sr1 . 1_455 130.96(5) ?
O2 Ni Sr1 1_565 . 60.17(5) ?
O2 Ni Sr2 1_565 . 119.55(6) ?
O2 Ni Sr2 . . 49.21(5) ?
O2 Ni Sr2 2_455 . 119.55(6) ?
O2 Ni Sr2 . 1_665 119.55(6) ?
O2 Ni Sr2 2_355 1_655 119.55(6) ?
O2 Ni Sr2 2_355 . 49.21(5) ?
O2 Ni Sr2 . 1_655 49.21(5) ?
O2 Ni Sr2 1_565 1_655 119.55(6) ?
O2 Ni Sr2 2_455 1_655 49.21(5) ?
O2 Ni Sr2 2_355 1_665 119.55(6) ?
O2 Ni Sr2 1_565 1_665 49.21(5) ?
O2 Ni Sr2 2_455 1_665 49.21(5) ?
Sr1 Ni Sr1 1_455 1_445 71.206(7) ?
Sr1 Ni Sr1 1_545 1_445 71.206(7) ?
Sr1 Ni Sr1 1_455 1_545 110.833(15) ?
Sr1 Ni Sr1 . 1_455 71.206(7) ?
Sr1 Ni Sr1 . 1_545 71.206(7) ?
Sr1 Ni Sr1 . 1_445 110.833(15) ?
Sr1 Ni Sr2 1_455 1_665 109.027(3) ?
Sr1 Ni Sr2 1_545 1_655 69.639(7) ?
Sr1 Ni Sr2 . . 179.528(15) ?
Sr1 Ni Sr2 1_455 . 109.027(3) ?
Sr1 Ni Sr2 1_445 . 69.638(7) ?
Sr1 Ni Sr2 1_445 1_665 179.528(15) ?
Sr1 Ni Sr2 . 1_665 69.639(7) ?
Sr1 Ni Sr2 . 1_655 109.027(3) ?
Sr1 Ni Sr2 1_455 1_655 179.528(15) ?
Sr1 Ni Sr2 1_445 1_655 109.027(3) ?
Sr1 Ni Sr2 1_545 1_665 109.027(3) ?
Sr1 Ni Sr2 1_545 . 109.027(3) ?
Sr2 Ni Sr2 . 1_655 70.737(9) ?
Sr2 Ni Sr2 . 1_665 109.889(18) ?
Sr2 Ni Sr2 1_665 1_655 70.737(9) ?
Ni O1 Ni 17_446 . 180.0 ?
Ni O1 Sr1 . 1_445 90.0 ?
Ni O1 Sr1 17_446 1_455 90.0 ?
Ni O1 Sr1 17_446 1_545 90.0 ?
Ni O1 Sr1 17_446 . 90.0 ?
Ni O1 Sr1 . 1_455 90.0 ?
Ni O1 Sr1 . 1_545 90.0 ?
Ni O1 Sr1 17_446 1_445 90.0 ?
Ni O1 Sr1 . . 90.0 ?
Sr1 O1 Sr1 1_455 1_545 180.0 ?
Sr1 O1 Sr1 . 1_545 90.0 ?
Sr1 O1 Sr1 1_445 . 180.0 ?
Sr1 O1 Sr1 1_445 1_545 90.0 ?
Sr1 O1 Sr1 . 1_455 90.0 ?
Sr1 O1 Sr1 1_445 1_455 90.0 ?
Ni O2 Ni . 1_545 163.98(15) ?
Ni O2 Sr1 1_545 1_545 84.04(6) ?
Ni O2 Sr1 1_545 1_445 84.04(6) ?
Ni O2 Sr1 . 1_445 84.04(6) ?
Ni O2 Sr1 . 1_545 84.04(6) ?
Ni O2 Sr2 . . 95.18(4) ?
Ni O2 Sr2 . 1_655 95.18(4) ?
Ni O2 Sr2 1_545 . 95.18(4) ?
Ni O2 Sr2 1_545 1_655 95.18(4) ?
Sr1 O2 Sr1 1_545 1_445 83.74(7) ?
Sr2 O2 Sr1 . 1_445 88.546(13) ?
Sr2 O2 Sr1 1_655 1_445 172.29(8) ?
Sr2 O2 Sr1 . 1_545 172.28(8) ?
Sr2 O2 Sr1 1_655 1_545 88.547(13) ?
Sr2 O2 Sr2 . 1_655 99.17(9) ?
Sr2 Cl Sr2 1_665 1_565 80.635(18) ?
Sr2 Cl Sr2 1_565 . 80.634(18) ?
Sr2 Cl Sr2 1_655 . 80.634(18) ?
Sr2 Cl Sr2 1_565 25_335 113.79(2) ?
Sr2 Cl Sr2 . 25_335 113.79(2) ?
Sr2 Cl Sr2 1_665 1_655 80.635(18) ?
Sr2 Cl Sr2 1_565 1_655 132.42(5) ?
Sr2 Cl Sr2 1_665 25_335 113.79(2) ?
Sr2 Cl Sr2 1_665 . 132.42(5) ?
Sr2 Cl Sr2 1_655 25_335 113.79(2) ?
O1 Sr1 O1 1_665 . 180.0 ?
O1 Sr1 O1 . 1_565 90.0 ?
O1 Sr1 O1 . 1_655 90.0 ?
O1 Sr1 O1 1_665 1_655 90.0 ?
O1 Sr1 O1 1_565 1_655 180.0 ?
O1 Sr1 O1 1_665 1_565 90.0 ?
O1 Sr1 O2 1_665 18_656 61.84(2) ?
O1 Sr1 O2 . 2_465 118.16(2) ?
O1 Sr1 O2 1_655 18_656 118.16(2) ?
O1 Sr1 O2 1_665 2_455 118.16(2) ?
O1 Sr1 O2 1_565 18_656 61.84(2) ?
O1 Sr1 O2 1_655 2_455 61.84(2) ?
O1 Sr1 O2 1_655 18_646 61.84(2) ?
O1 Sr1 O2 . 17_546 118.16(2) ?
O1 Sr1 O2 1_665 1_565 118.16(2) ?
O1 Sr1 O2 . 2_455 61.84(2) ?
O1 Sr1 O2 1_565 1_565 61.84(2) ?
O1 Sr1 O2 . 1_565 61.84(2) ?
O1 Sr1 O2 1_565 2_455 118.16(2) ?
O1 Sr1 O2 . 18_646 61.84(2) ?
O1 Sr1 O2 1_655 1_565 118.16(2) ?
O1 Sr1 O2 1_655 2_465 118.16(2) ?
O1 Sr1 O2 1_665 17_446 118.16(2) ?
O1 Sr1 O2 1_655 17_546 61.84(2) ?
O1 Sr1 O2 1_565 17_446 61.84(2) ?
O1 Sr1 O2 1_655 17_446 118.16(2) ?
O1 Sr1 O2 1_665 1_665 61.84(2) ?
O1 Sr1 O2 . 17_446 61.84(2) ?
O1 Sr1 O2 1_565 1_665 118.16(2) ?
O1 Sr1 O2 1_655 1_665 61.84(2) ?
O1 Sr1 O2 1_665 18_646 118.16(2) ?
O1 Sr1 O2 . 18_656 118.16(2) ?
O1 Sr1 O2 1_565 18_646 118.16(2) ?
O1 Sr1 O2 . 1_665 118.16(2) ?
O1 Sr1 O2 1_665 2_465 61.84(2) ?
O1 Sr1 O2 1_565 17_546 118.16(2) ?
O1 Sr1 O2 1_565 2_465 61.84(2) ?
O1 Sr1 O2 1_665 17_546 61.84(2) ?
O2 Sr1 O2 17_546 1_565 180.0 ?
O2 Sr1 O2 18_656 1_565 123.68(4) ?
O2 Sr1 O2 17_546 18_646 56.32(4) ?
O2 Sr1 O2 2_455 17_546 123.68(4) ?
O2 Sr1 O2 1_565 1_665 83.74(7) ?
O2 Sr1 O2 2_455 1_565 56.32(4) ?
O2 Sr1 O2 17_546 2_465 123.68(4) ?
O2 Sr1 O2 1_565 18_646 123.68(4) ?
O2 Sr1 O2 1_565 2_465 56.32(4) ?
O2 Sr1 O2 18_656 17_446 56.32(4) ?
O2 Sr1 O2 18_646 2_465 180.0 ?
O2 Sr1 O2 17_546 17_446 83.74(7) ?
O2 Sr1 O2 1_565 17_446 96.26(7) ?
O2 Sr1 O2 18_656 17_546 56.32(4) ?
O2 Sr1 O2 18_656 2_465 96.26(7) ?
O2 Sr1 O2 2_455 18_646 96.26(7) ?
O2 Sr1 O2 18_656 1_665 123.68(4) ?
O2 Sr1 O2 18_656 18_646 83.74(7) ?
O2 Sr1 O2 2_455 1_665 56.32(4) ?
O2 Sr1 O2 17_546 1_665 96.26(7) ?
O2 Sr1 O2 18_646 1_665 123.68(4) ?
O2 Sr1 O2 2_455 17_446 123.68(4) ?
O2 Sr1 O2 2_455 2_465 83.74(7) ?
O2 Sr1 O2 2_465 1_665 56.32(4) ?
O2 Sr1 O2 18_646 17_446 56.32(4) ?
O2 Sr1 O2 17_446 1_665 180.0 ?
O2 Sr1 O2 2_465 17_446 123.68(4) ?
O2 Sr1 O2 18_656 2_455 180.0 ?
Ni Sr2 Ni 1_455 1_445 70.737(9) ?
Ni Sr2 Ni 1_545 1_445 70.737(9) ?
Ni Sr2 Ni . 1_455 70.737(9) ?
Ni Sr2 Ni . 1_545 70.737(9) ?
Ni Sr2 Ni 1_455 1_545 109.889(18) ?
Ni Sr2 Ni . 1_445 109.889(18) ?
O2 Sr2 Ni . 1_445 93.92(4) ?
O2 Sr2 Ni . 1_455 93.92(4) ?
O2 Sr2 Ni 2_345 1_545 35.602(6) ?
O2 Sr2 Ni 2_355 1_545 93.92(4) ?
O2 Sr2 Ni 2_345 1_455 93.92(4) ?
O2 Sr2 Ni 2_355 1_445 93.92(4) ?
O2 Sr2 Ni 1_455 1_445 35.602(6) ?
O2 Sr2 Ni . . 35.602(6) ?
O2 Sr2 Ni 2_345 . 93.92(4) ?
O2 Sr2 Ni 2_345 1_445 35.602(6) ?
O2 Sr2 Ni 1_455 1_455 35.602(6) ?
O2 Sr2 Ni 2_355 . 35.602(6) ?
O2 Sr2 Ni 1_455 . 93.92(4) ?
O2 Sr2 Ni 2_355 1_455 35.602(6) ?
O2 Sr2 Ni . 1_545 35.602(6) ?
O2 Sr2 Ni 1_455 1_545 93.92(4) ?
O2 Sr2 O2 1_455 . 99.17(9) ?
O2 Sr2 O2 2_355 1_455 65.14(5) ?
O2 Sr2 O2 2_355 2_345 99.17(9) ?
O2 Sr2 O2 2_355 . 65.14(5) ?
O2 Sr2 O2 2_345 . 65.14(5) ?
O2 Sr2 O2 2_345 1_455 65.14(5) ?
O2 Sr2 Cl 1_455 . 138.952(17) ?
O2 Sr2 Cl 2_355 1_445 138.952(17) ?
O2 Sr2 Cl . . 76.64(4) ?
O2 Sr2 Cl 2_355 . 76.64(4) ?
O2 Sr2 Cl 1_455 1_455 76.64(4) ?
O2 Sr2 Cl 1_455 1_445 76.64(4) ?
O2 Sr2 Cl . 1_445 138.952(17) ?
O2 Sr2 Cl 2_345 1_445 76.64(4) ?
O2 Sr2 Cl . 1_545 76.64(4) ?
O2 Sr2 Cl 2_345 1_545 76.64(4) ?
O2 Sr2 Cl 2_355 1_455 76.64(4) ?
O2 Sr2 Cl 1_455 1_545 138.952(17) ?
O2 Sr2 Cl 2_355 1_545 138.952(17) ?
O2 Sr2 Cl 2_345 1_455 138.952(17) ?
O2 Sr2 Cl 2_345 . 138.952(17) ?
O2 Sr2 Cl . 1_455 138.952(17) ?
Cl Sr2 Ni 1_445 . 168.74(3) ?
Cl Sr2 Ni 1_445 1_445 58.85(2) ?
Cl Sr2 Ni 1_545 1_455 168.74(3) ?
Cl Sr2 Ni . 1_545 103.398(13) ?
Cl Sr2 Ni 1_455 1_445 103.398(13) ?
Cl Sr2 Ni . 1_455 103.398(13) ?
Cl Sr2 Ni 1_545 1_445 103.398(13) ?
Cl Sr2 Ni 1_445 1_455 103.398(13) ?
Cl Sr2 Ni 1_455 1_545 168.74(3) ?
Cl Sr2 Ni 1_455 . 103.397(13) ?
Cl Sr2 Ni 1_445 1_545 103.398(13) ?
Cl Sr2 Ni 1_545 1_545 58.85(2) ?
Cl Sr2 Ni . . 58.85(2) ?
Cl Sr2 Ni . 1_445 168.74(3) ?
Cl Sr2 Ni 1_455 1_455 58.85(2) ?
Cl Sr2 Ni 1_545 . 103.397(13) ?
Cl Sr2 Cl 1_455 1_545 132.42(5) ?
Cl Sr2 Cl 1_445 1_545 80.634(18) ?
Cl Sr2 Cl . 1_455 80.634(18) ?
Cl Sr2 Cl . 1_545 80.634(18) ?
Cl Sr2 Cl 1_445 1_455 80.634(18) ?
Cl Sr2 Cl 1_445 . 132.42(5) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ni O1 . 1.8719(5) ?
Ni O2 . 1.9389(3) ?
Ni O2 2_355 1.9389(4) ?
Ni O2 2_455 1.9389(4) ?
Ni O2 1_565 1.9389(4) ?
Ni Sr1 . 3.2980(3) ?
Ni Sr1 1_445 3.2980(3) ?
Ni Sr1 1_455 3.2980(3) ?
Ni Sr1 1_545 3.2980(3) ?
Ni Sr2 . 3.3169(4) ?
Ni Sr2 1_665 3.3169(4) ?
Ni Sr2 1_655 3.3169(4) ?
O1 Sr1 . 2.71522(7) ?
O1 Sr1 1_545 2.71522(7) ?
O1 Sr1 1_455 2.71522(7) ?
O1 Sr1 1_445 2.71522(7) ?
O2 Sr1 1_545 2.8766(18) ?
O2 Sr1 1_445 2.8766(18) ?
O2 Sr2 . 2.5217(16) ?
O2 Sr2 1_655 2.5218(16) ?
Cl Sr2 1_665 2.9674(6) ?
Cl Sr2 1_655 2.9674(6) ?
Cl Sr2 . 2.9674(6) ?
Cl Sr2 25_335 3.3956(13) ?
Cl Sr2 1_565 2.9674(6) ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
O2 Ni O1 Sr1 . . . 1_445 -45.0 ?
O2 Ni O1 Sr1 . . . 1_455 -135.0 ?
O2 Ni O1 Sr1 1_565 . . 1_445 135.0 ?
O2 Ni O1 Sr1 . . . . 135.0 ?
O2 Ni O1 Sr1 2_455 . . 1_445 -135.0 ?
O2 Ni O1 Sr1 1_565 . . . -45.0 ?
O2 Ni O1 Sr1 . . . 1_545 45.0 ?
O2 Ni O1 Sr1 1_565 . . 1_545 -135.0 ?
O2 Ni O1 Sr1 2_355 . . 1_455 -45.0 ?
O2 Ni O1 Sr1 2_355 . . . -135.0 ?
O2 Ni O1 Sr1 2_455 . . 1_455 135.0 ?
O2 Ni O1 Sr1 1_565 . . 1_455 45.0 ?
O2 Ni O1 Sr1 2_355 . . 1_445 45.0 ?
O2 Ni O1 Sr1 2_455 . . . 45.0 ?
O2 Ni O1 Sr1 2_355 . . 1_545 135.0 ?
O2 Ni O1 Sr1 2_455 . . 1_545 -45.0 ?
Sr1 Ni O1 Sr1 . . . 1_445 180.0 ?
Sr1 Ni O1 Sr1 1_445 . . 1_455 -90.0 ?
Sr1 Ni O1 Sr1 1_455 . . 1_545 180.0 ?
Sr1 Ni O1 Sr1 1_455 . . 1_445 90.0 ?
Sr1 Ni O1 Sr1 1_445 . . 1_545 90.0 ?
Sr1 Ni O1 Sr1 1_545 . . 1_455 180.0 ?
Sr1 Ni O1 Sr1 . . . 1_545 -90.0 ?
Sr1 Ni O1 Sr1 1_455 . . . -90.0 ?
Sr1 Ni O1 Sr1 . . . 1_455 90.0 ?
Sr1 Ni O1 Sr1 1_545 . . 1_445 -90.0 ?
Sr1 Ni O1 Sr1 1_445 . . . 180.0 ?
Sr1 Ni O1 Sr1 1_545 . . . 90.0 ?
Sr2 Ni O1 Sr1 1_665 . . 1_455 90.0 ?
Sr2 Ni O1 Sr1 1_655 . . 1_445 -90.0 ?
Sr2 Ni O1 Sr1 1_655 . . 1_455 180.0 ?
Sr2 Ni O1 Sr1 1_665 . . . 0.0 ?
Sr2 Ni O1 Sr1 1_665 . . 1_545 -90.0 ?
Sr2 Ni O1 Sr1 . . . . 180.0 ?
Sr2 Ni O1 Sr1 1_665 . . 1_445 180.0 ?
Sr2 Ni O1 Sr1 . . . 1_545 90.0 ?
Sr2 Ni O1 Sr1 1_655 . . 1_545 0.0 ?
Sr2 Ni O1 Sr1 1_655 . . . 90.0 ?
Sr2 Ni O1 Sr1 . . . 1_455 -90.0 ?
Sr2 Ni O1 Sr1 . . . 1_445 0.0 ?
