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#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/78/9007854.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9007854
loop_
_publ_author_name
'Gravereau, P.'
'Mirambet, C.'
'Fournes, L.'
'Grannec, J.'
'Lozano, L.'
_publ_section_title
;
 Structure of alkaline-earth pentafluoroantimonates(III),
 MSbF5 (M = Sr,Ba)
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2294
_journal_page_last               2297
_journal_paper_doi               10.1107/S0108270190005790
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     BaSbF5
_chemical_formula_sum            'Ba F5 Sb'
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.676
_cell_length_b                   9.313
_cell_length_c                   11.213
_cell_formula_units_Z            4
_cell_volume                     488.299
_database_code_amcsd             0010217
_exptl_crystal_density_diffrn    4.816
_cod_original_formula_sum        'Ba Sb F5'
_cod_database_code               9007854
_amcsd_formula_title             BaSbF5
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,1/2+y,z
x,1/2-y,-z
x,y,1/2-z
-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ba 0.02762 0.25000 0.00000 0.01080
Sb 0.40594 0.04943 0.25000 0.01287
F1 0.11840 0.20400 0.25000 0.01874
F2 0.45730 0.68730 0.11480 0.02736
F3 0.11890 0.98560 0.11740 0.02647
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010217
