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#$Date: 2025-01-17 12:57:22 +0200 (Fri, 17 Jan 2025) $
#$Revision: 297366 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/80/1008022.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_1008022
loop_
_publ_author_name
'Levy, J. H.'
'Sanger, P. L.'
'Taylor, J. C.'
'Wilson, P. W.'
_publ_section_title
;
 The structures of fluorides. XI. Cubic harmonic analysis of the neutron
 diffraction pattern of the body-centred cubic phase of Mo F₆ at 266 K
;
_journal_coden_ASTM              ACBCAR
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Crystallography and Crystal
 Chemistry
;
_journal_page_first              1065
_journal_page_last               1067
_journal_paper_doi               10.1107/S0567740875004505
_journal_volume                  31
_journal_year                    1975
_chemical_formula_structural     'Mo F6'
_chemical_formula_sum            'F6 Mo'
_chemical_name_systematic        'Molybdenum hexafluoride'
_space_group_IT_number           211
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      211
_symmetry_space_group_name_Hall  'I 4 2 3'
_symmetry_space_group_name_H-M   'I 4 3 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.221(5)
_cell_length_b                   6.221(5)
_cell_length_c                   6.221(5)
_cell_volume                     240.8
_refine_ls_R_factor_all          0.103
_cod_database_code               1008022
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,z,x
z,x,y
-x,-z,-y
-y,-x,-z
-z,-y,-x
x,-y,-z
y,-z,-x
z,-x,-y
-x,z,y
-y,x,z
-z,y,x
-x,y,-z
-y,z,-x
-z,x,-y
x,-z,y
y,-x,z
z,-y,x
-x,-y,z
-y,-z,x
-z,-x,y
x,z,-y
y,x,-z
z,y,-x
1/2+x,1/2+y,1/2+z
1/2+y,1/2+z,1/2+x
1/2+z,1/2+x,1/2+y
1/2-x,1/2-z,1/2-y
1/2-y,1/2-x,1/2-z
1/2-z,1/2-y,1/2-x
1/2+x,1/2-y,1/2-z
1/2+y,1/2-z,1/2-x
1/2+z,1/2-x,1/2-y
1/2-x,1/2+z,1/2+y
1/2-y,1/2+x,1/2+z
1/2-z,1/2+y,1/2+x
1/2-x,1/2+y,1/2-z
1/2-y,1/2+z,1/2-x
1/2-z,1/2+x,1/2-y
1/2+x,1/2-z,1/2+y
1/2+y,1/2-x,1/2+z
1/2+z,1/2-y,1/2+x
1/2-x,1/2-y,1/2+z
1/2-y,1/2-z,1/2+x
1/2-z,1/2-x,1/2+y
1/2+x,1/2+z,1/2-y
1/2+y,1/2+x,1/2-z
1/2+z,1/2+y,1/2-x
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
_atom_site_attached_hydrogens
_atom_site_calc_flag
Mo1 Mo6+ 2 a 0. 0. 0. 1. 0 d
F1 F1- 2 a -1. -1. -1. 6. 0 dum
loop_
_atom_type_symbol
_atom_type_oxidation_number
Mo6+ 6.000
F1- -1.000
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1 'Vaitkus, Antanas' 2025-01-14T10:11:38+02:00
;
 Updated bibliographic information. Updated the '_chemical_name_systematic'
 data item value.
;
