#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011350.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_1011350
_chemical_name_systematic          'Cerium fluoride'
_chemical_name_mineral             'Fluocerite (Ce)'
_chemical_compound_source          'synthetic'
_chemical_formula_structural       'Ce F3'
_chemical_formula_sum              'Ce F3'
_publ_section_title
;
Ueber die Kristallstruktur von Tysonit und einigen kuenstlich
dargestellten Lanthanidenfluoriden
;
_publ_author_name                  'Oftedal, I'
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der
Elementarprozesse, Aufbau der Materie
;
_journal_coden_ASTM                ZPCBAL
_journal_volume                    5
_journal_year                      1929
_journal_page_first                272
_journal_page_last                 292
_cell_length_a                     7.128(4)
_cell_length_b                     7.128(4)
_cell_length_c                     7.288(5)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       320.7
_cell_formula_units_Z              6
_symmetry_space_group_name_H-M     'P 63 2 2'
_symmetry_Int_Tables_number        182
_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
  Ce3+   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
  Ce1   Ce3+   6 g 0.3333 0.3333 0. 1.  0 d
  F1    F1-   12 i 0.38 0.046 0.16 1.  0 d
  F2    F1-    4 f 0.3333 0.6667 0.0833 1.  0 d
  F3    F1-    2 b 0. 0. 0.25 1.  0 d