#------------------------------------------------------------------------------
#$Date: 2024-04-18 17:56:43 +0200 (jue 18 de abr de 2024) $
#$Revision: 291269 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/00/9000056.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_9000056
loop_
_publ_author_name
'Donnay, G.'
'Donnay, J. D. H.'
_publ_section_title
;
 The crystallography of bastnaesite, parasite, roentgenite, and synchisite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              932
_journal_page_last               963
_journal_volume                  38
_journal_year                    1953
_chemical_formula_structural     Ce(CO3)F
_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                   7.16
_cell_length_b                   7.16
_cell_length_c                   9.79
_cell_formula_units_Z            6
_cell_volume                     434.650
_database_code_amcsd             0000059
_exptl_crystal_density_diffrn    5.023
_cod_original_formula_sum        'Ce C O3 F'
_cod_database_code               9000056
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
Ce 0.33333 0.00000 0.00000
C 0.24500 0.33333 0.25000
O1 0.06700 0.33333 0.25000
O2 0.33333 0.33333 0.13800
F1 0.00000 0.00000 0.00000
F2 0.33333 0.66667 0.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000059
