#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010958.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_1010958
_chemical_name_systematic
;
Cerium lanthanum fluoride carbonate (.5/.5/1/1)
;
_chemical_name_mineral             'Bastnaesite (La)'
_chemical_compound_source          'from W. Cheyenne Canon, Colorado'
_chemical_formula_structural       '(Ce.5 La.5) F C O3'
_chemical_formula_sum            'Ce0.5 F La0.5 O3'
_[local]_cod_chemical_formula_sum_orig 'Ce.5 F La.5 O3'
_publ_section_title
;
Zur Kristallstruktur von Bastnaesit (Ce La) F C O3
;
loop_
_publ_author_name                  'Oftedal, I'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    78
_journal_year                      1931
_journal_page_first                462
_journal_page_last                 469
_cell_length_a                     7.094(7)
_cell_length_b                     7.094(7)
_cell_length_c                     9.718(8)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       423.5
_cell_formula_units_Z              6
_symmetry_space_group_name_H-M     'P -6 2 c'
_symmetry_Int_Tables_number        190
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  'x,y,1/2-z'
  '-y,x-y,1/2-z'
  'y-x,-x,1/2-z'
  'y,x,1/2+z'
  'x-y,-y,1/2+z'
  '-x,y-x,1/2+z'
  'y,x,-z'
  'x-y,-y,-z'
  '-x,y-x,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ce3+   3.000
  La3+   3.000
  F1-   -1.000
  O2-   -2.000
  C4+    4.000
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 0.6667 0.6667 0. 0.5  0 d
  La1   La3+   6 g 0.6667 0.6667 0. 0.5  0 d
  F1    F1-    2 a 0. 0. 0. 1.  0 d
  F2    F1-    4 f 0.3333 0.6667 0. 1.  0 d
  O1    O2-   12 i 0.3333 0.3333 0.143 1.  0 d
  O2    O2-    6 h -1. -1. -1. 1.  0 dum
  C1    C4+    6 h -1. -1. -1. 1.  0 dum
_cod_database_code 1010958