#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1000167.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_1000167
_chemical_name_systematic          'Lithium hexafluorotitanate'
_chemical_formula_structural       'Li2 Ti F6'
_chemical_formula_sum              'F6 Li2 Ti'
_publ_section_title
;
Sur quelques composes fluores a structure rutile et trirutile
;
loop_
_publ_author_name
  'Portier, J'
  'Tressaud, A'
  'Menil, F'
  'Claverie, J'
  'de=Pape, R'
  'Hagenmueller, P'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    1
_journal_year                      1969
_journal_page_first                100
_journal_page_last                 102
_cell_length_a                     4.630(5)
_cell_length_b                     4.630(5)
_cell_length_c                     8.935(10)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       191.5
_cell_formula_units_Z              2
_exptl_crystal_density_meas        2.95(5)
_symmetry_space_group_name_H-M     'P 42/m n m'
_symmetry_Int_Tables_number        136
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  '-x,-y,-z'
  'x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,1/2-z'
  'y,x,z'
  '-y,-x,z'
  '1/2-y,1/2+x,1/2+z'
  '1/2+y,1/2-x,1/2+z'
  '-y,-x,-z'
  'y,x,-z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,1/2+x,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Li1+   1.000
  Ti4+   4.000
  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
  Li1   Li1+   4 e 0. 0. 0.333 1.  0 d
  Ti1   Ti4+   2 a 0. 0. 0. 1.  0 d
  F1    F1-    4 f 0.289(2) 0.289(2) 0. 1.  0 d
  F2    F1-    8 j 0.309(2) 0.309(2) 0.333 1.  0 d
_cod_database_code 1000167