#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/87/1008751.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_1008751
_chemical_name_systematic          'Lanthanum fluoride'
_chemical_name_mineral             'Fluocerite (La)'
_chemical_formula_structural       'La F3'
_chemical_formula_sum              'F3 La'
_publ_section_title
;
Determination de la structure du fluorure de lanthane La F3
;
loop_
_publ_author_name
  'de Rango, C'
  'Tsoucaris, G'
  'Zelwer, C'
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,
Serie C, Sciences Chimiques (1966-)
;
_journal_coden_ASTM                CHDCAQ
_journal_volume                    263
_journal_year                      1966
_journal_page_first                64
_journal_page_last                 66
_cell_length_a                     7.16(1)
_cell_length_b                     7.16(1)
_cell_length_c                     7.36(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       326.8
_cell_formula_units_Z              6
_symmetry_space_group_name_H-M     'P 63 c m'
_symmetry_Int_Tables_number        185
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  'y,x,z'
  'x-y,-y,z'
  '-x,y-x,z'
  '-x,-y,1/2+z'
  'y,y-x,1/2+z'
  'x-y,x,1/2+z'
  '-y,-x,1/2+z'
  'y-x,y,1/2+z'
  'x,x-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  La3+   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
  La1   La3+   6 c 0.671(1) 0. 0.25 1.  0 d
  F1    F1-    2 a 0. 0. 0.310(3) 1.  0 d
  F2    F1-    4 b 0.3333 0.6667 0.210(2) 1.  0 d
  F3    F1-    6 c 0.276(2) 0. 0.067(2) 1.  0 d
  F4    F1-    6 c 0.372(2) 0. 0.404(2) 1.  0 d
_refine_ls_R_factor_all            0.06
_cod_database_code 1008751