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#$Date: 2025-01-14 10:49:31 +0200 (Tue, 14 Jan 2025) $
#$Revision: 297313 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/38/4343837.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_4343837
loop_
_publ_author_name
'Drews, T.'
'Hagenbach, A.'
'Supel, J.'
'Seppelt, K.'
_publ_section_title
;
 Solid state molecular structures of transition metal hexafluorides
;
_journal_coden_ASTM              INOCAJ
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3782
_journal_page_last               3788
_journal_paper_doi               10.1021/ic052029f
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'F6 Os'
_chemical_name_systematic        'Osmium hexafluoride'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.387
_cell_length_b                   8.5435
_cell_length_c                   4.9444
_cell_volume                     396.530
_cod_data_source_file            Drews_INOCAJ_2006_786.cif
_cod_data_source_block           F6Os1
_cod_original_cell_volume        396.5302
_cod_original_formula_sum        'F6 Os1'
_cod_database_code               4343837
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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_occupancy
_atom_site_U_iso_or_equiv
F4 F-1 0.517 0.4013 0.2476 1 0.0
F3 F-1 0.51 0.25 -0.205 1 0.0
F1 F-1 0.743 0.25 0.3888 1 0.0
Os1 Os+6 0.627186 0.25 0.09025 1 0.0
F2 F-1 0.7379 0.4016 -0.0645 1 0.0
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1 'Vaitkus, Antanas' 2025-01-14T10:46:05+02:00
;
 Updated bibliographic information. Updated the '_chemical_name_systematic'
 data item value.
;
