##############################################################################
#                                                                            #
# Cl-Os            # OsCl4 ht                                      # 1250663 #
#                                                                            #
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data_1250663
_audit_creation_date                     2024-10-08
_audit_creation_method

# Entry summary

_chemical_formula_structural             'Os Cl~4~'
_chemical_formula_sum                    'Cl4 Os'
_chemical_name_mineral                   ?
_chemical_compound_source                ?
_chemical_name_structure_type            OsCl₄,oS10,65
_chemical_formula_weight                 332.0

# Bibliographic data

_publ_section_title
'Structure of the high-temperature form of osmium(IV) chloride'               
_journal_coden_ASTM                      INOCAJ
_journal_name_full                       'Inorg. Chem.'
_journal_year                            1977
_journal_volume                          16
_journal_page_first                      1865
_journal_page_last                       1867
_journal_language                        English
loop_
 _publ_author_name
 _publ_author_address
'Cotton F.A.'
;
Texas A&M University (TAMU)
Department of Chemistry
College Station
U.S.A. Texas
;
'Rice C.E.'
;
Texas A&M University (TAMU)
Department of Chemistry
College Station
U.S.A. Texas
;

# Standardized crystallographic data

_cell_length_a                           7.929
_cell_length_b                           8.326
_cell_length_c                           3.56
_cell_angle_alpha                        90
_cell_angle_beta                         90
_cell_angle_gamma                        90
_cell_volume                             235.02
_cell_formula_units_Z                    2
_space_group_IT_number                   65
_space_group_name_H-M_alt                'C m m m'
loop_
 _space_group_symop_id
 _space_group_symop_operation_xyz
 1 'x, y, z'
 2 '-x, -y, -z'
 3 '-x, -y, z'
 4 '-x, y, -z'
 5 '-x, y, z'
 6 'x, -y, -z'
 7 'x, -y, z'
 8 'x, y, -z'
 9 '1/2+x, 1/2+y, z'
 10 '1/2-x, 1/2-y, -z'
 11 '1/2-x, 1/2-y, z'
 12 '1/2-x, 1/2+y, -z'
 13 '1/2-x, 1/2+y, z'
 14 '1/2+x, 1/2-y, -z'
 15 '1/2+x, 1/2-y, z'
 16 '1/2+x, 1/2+y, -z'
loop_
 _atom_type_symbol
 Cl
 Os
loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_symmetry_multiplicity
 _atom_site_Wyckoff_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
 Cl2 Cl 4 j 0 0.1894 0.5 1
 Cl1 Cl 4 g 0.2852 0 0 1
 Os Os 2 a 0 0 0 1


_exptl_crystal_colour                    black
_exptl_crystal_density_meas              ?
_exptl_crystal_density_diffrn            4.69
_cell_measurement_temperature            ?
_cell_measurement_radiation              ?
_cell_measurement_reflns_used            ?
_diffrn_ambient_temperature              294(2)
_diffrn_measurement_device               'automatic diffractometer'
_diffrn_measurement_device_type          'Syntex P1'
_diffrn_radiation_type                   'X-rays, Mo Ka'
_diffrn_reflns_number                    ?
_exptl_absorpt_coefficient_mu            30.883
_exptl_absorpt_correction_type           analytical
_computing_structure_solution            'Patterson synthesis'
_refine_ls_number_parameters             ?
_refine_ls_number_reflns                 221
_refine_ls_R_factor_gt                   0.039
_refine_ls_wR_factor_gt                  0.051

# End of data set 1250663

