#------------------------------------------------------------------------------
#$Date: 2024-05-09 10:47:05 +0200 (Thu 09 de May de 2024) $
#$Revision: 291792 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/14/9011406.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_9011406
loop_
_publ_author_name
'Oftedal, I.'
_publ_section_title
;
 Zur kristallstruktur von bastnasit (Ce,La--)FCO3
 Note: positions of C and at least one O undetermined
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              462
_journal_page_last               469
_journal_volume                  78
_journal_year                    1931
_chemical_compound_source        'Western Cheyenne Canyon, Colorado, USA'
_chemical_formula_sum            'Ce0.5 F La0.5 O2'
_chemical_name_mineral           Bastnasite-(La)
_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                   7.094
_cell_length_b                   7.094
_cell_length_c                   9.718
_cell_formula_units_Z            6
_cell_volume                     423.536
_database_code_amcsd             0010506
_exptl_crystal_density_diffrn    4.481
_cod_original_formula_sum        '(La.5 Ce.5) F O2'
_cod_database_code               9011406
loop_
_space_group_symop_operation_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_occupancy
La 0.66667 0.66667 0.00000 0.50000
Ce 0.66667 0.66667 0.00000 0.50000
F1 0.00000 0.00000 0.00000 1.00000
F2 0.33333 0.66667 0.00000 1.00000
O 0.33333 0.33333 0.14300 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010506
