#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010212.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_1010212
_chemical_name_systematic          'Lanthanum fluoride carbonate'
_chemical_formula_structural       'La F C O3'
_chemical_formula_sum              'F La O3'
_publ_section_title                'Ueber die Kristallstruktur von Bastnaesit.'
_publ_author_name                  'Oftedal, I'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    72
_journal_year                      1930
_journal_page_first                239
_journal_page_last                 248
_cell_length_a                     7.094(4)
_cell_length_b                     7.094(4)
_cell_length_c                     4.859(4)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       211.8
_cell_formula_units_Z              3
_symmetry_space_group_name_H-M     'P -6 2 m'
_symmetry_Int_Tables_number        189
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  'x,y,-z'
  '-y,x-y,-z'
  'y-x,-x,-z'
  'y,x,z'
  'x-y,-y,z'
  '-x,y-x,z'
  'y,x,-z'
  'x-y,-y,-z'
  '-x,y-x,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  La3+   3.000
  O2-   -2.000
  C4+    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
  La1   La3+   3 f 0.333 0. 0. 1.  0 d
  O1    O2-    6 i 0.667 0. 0.3 1.  0 d
  O2    O2-    3 g 0.5 0. 0.5 1.  0 d
  C1    C4+    3 g 0.667 0. 0.5 1.  0 d
  F1    F1-    2 c 0.3333 0.6667 0. 1.  0 d
  F2    F1-    1 a 0. 0. 0. 1.  0 d