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#$Date: 2010-04-10 21:37:29 +0300 (Sat, 10 Apr 2010) $
#$Revision: 1071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001515.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9001515
loop_
_publ_author_name
'Ni, Y.'
'Hughes, J. M.'
'Mariano, A. N.'
_publ_section_title
;
 The atomic arrangement of bastnasite-(Ce), Ce(CO3)F, and structural elements of
 synchysite-(Ce), rontgenite-(Ce), and parisite-(Ce)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              415
_journal_page_last               418
_journal_volume                  78
_journal_year                    1993
_chemical_formula_sum            'C Ce F O3'
_chemical_name_mineral           Bastnasite-(Ce)
_space_group_IT_number           190
_symmetry_space_group_name_Hall  'P -6c -2c'
_symmetry_space_group_name_H-M   'P -6 2 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.1175
_cell_length_b                   7.1175
_cell_length_c                   9.7619
_cell_volume                     428.272
_exptl_crystal_density_diffrn    5.098
_[local]_cod_data_source_file    cifdata.txt
_[local]_cod_data_source_block   'global_1552'
_[local]_cod_chemical_formula_sum_orig 'Ce C O3 F'
_cod_database_code               9001515
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-x+y,1/2+z
-x+y,-x,1/2-z
y,x,-z
-y,x-y,z
x-y,-y,1/2+z
x,y,1/2-z
-x,-x+y,-z
-x+y,-x,z
y,x,1/2+z
-y,x-y,1/2-z
x-y,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ce 0.33941 0.00000 0.00000 0.00456
C 0.32200 0.29000 0.25000 0.00760
O1 0.31600 0.10900 0.25000 0.01140
O2 0.32450 0.38280 0.13540 0.01267
F1 0.00000 0.00000 0.00000 0.01013
F2 0.66667 0.33333 0.05100 0.00887