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#$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $
#$Revision: 120071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/81/1008151.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_1008151
_chemical_name_systematic          'Caesium tetrafluorotitanate(III)'
_chemical_formula_structural       'Cs Ti F4'
_chemical_formula_sum              'Cs F4 Ti'
_publ_section_title
;
Structural and magnetic studies of cesium fluorotitanate (Cs Ti F~4~)
;
_space_group_IT_number           129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_[local]_cod_cif_authors_sg_H-M  'P 4/n m m Z'
loop_
_publ_author_name
  'Sabatier, R'
  'Vasson, A M'
  'Vasson, A'
  'Lethuillier, P'
  'Soubeyroux, J L'
  'Chevalier, R'
  'Cousseins, J C'
_journal_name_full                 'Materials Research Bulletin'
_journal_coden_ASTM                MRBUAC
_journal_volume                    17
_journal_year                      1982
_journal_page_first                369
_journal_page_last                 377
_cell_length_a                     7.897(2)
_cell_length_b                     7.897(2)
_cell_length_c                     6.506(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       405.7
_cell_formula_units_Z              4
_exptl_crystal_density_meas        4.19
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,y,z'
  'x,1/2-y,z'
  '1/2-x,1/2-y,z'
  'y,x,z'
  '1/2-y,x,z'
  'y,1/2-x,z'
  '1/2-y,1/2-x,z'
  '-x,-y,-z'
  '1/2+x,-y,-z'
  '-x,1/2+y,-z'
  '1/2+x,1/2+y,-z'
  '-y,-x,-z'
  '1/2+y,-x,-z'
  '-y,1/2+x,-z'
  '1/2+y,1/2+x,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cs1+   1.000
  Ti3+   3.000
  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
  Cs1   Cs1+   2 b 0.75 0.25 0.5 1.  0 d
  Cs2   Cs1+   2 c 0.25 0.25 0.4483(3) 1.  0 d
  Ti1   Ti3+   4 d 0. 0. 0. 1.  0 d
  F1    F1-    8 i 0.25 -0.0019(19) 0.0470(16) 1.  0 d
  F2    F1-    8 j -0.0295(9) -0.0295(9) 0.2840(15) 1.  0 d
_refine_ls_R_factor_all            0.052
_cod_database_code 1008151
_journal_paper_doi 10.1016/0025-5408(82)90087-3