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#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008022.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
_chemical_name_systematic          'MOLYBDENUM FLUORIDE'
_chemical_formula_structural       'MO F6'
_chemical_formula_sum              'F6 Mo'
_publ_section_title
;
The structures of fluorides. XI. Cubic harmonic analysis of the neutron
diffraction pattern of the body-centred cubic phase of  Mo F~6~  at 266
K
;
loop_
_publ_author_name
  'Levy, J H'
  'Sanger, P L'
  'Taylor, J C'
  'Wilson, P W'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    31
_journal_year                      1975
_journal_page_first                1065
_journal_page_last                 1067
_cell_length_a                     6.221(5)
_cell_length_b                     6.221(5)
_cell_length_c                     6.221(5)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       240.8
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'I 4 3 2'
_symmetry_Int_Tables_number        211
_symmetry_cell_setting             cubic
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_type_symbol
_atom_type_oxidation_number
  Mo6+   6.000
  F1-   -1.000
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
_refine_ls_R_factor_all            0.103
_cod_database_code 1008022