#------------------------------------------------------------------------------
#$Date: 2024-05-09 10:47:05 +0200 (Thu 09 de May de 2024) $
#$Revision: 291792 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/11/9011160.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_9011160
loop_
_publ_author_name
'Cheetham, A. K.'
'Fender, B. E. F.'
'Fuess, H.'
'Wright, A. F.'
_publ_section_title
;
 A powder neutron diffraction study of lanthanum and cerium trifluorides
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              94
_journal_page_last               97
_journal_paper_doi               10.1107/S0567740876002380
_journal_volume                  32
_journal_year                    1976
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ce F3'
_chemical_name_mineral           Fluocerite-(Ce)
_space_group_IT_number           165
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.131
_cell_length_b                   7.131
_cell_length_c                   7.286
_cell_formula_units_Z            6
_cell_volume                     320.864
_database_code_amcsd             0009548
_exptl_crystal_density_diffrn    6.121
_cod_database_code               9011160
loop_
_space_group_symop_operation_xyz
x,y,z
-y,-x,1/2+z
y,-x+y,-z
-x,-x+y,1/2-z
-x+y,-x,z
-x+y,y,1/2+z
-x,-y,-z
y,x,1/2-z
-y,x-y,z
x,x-y,1/2+z
x-y,x,-z
x-y,-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ce 0.66070 0.00000 0.25000 0.00367
F1 0.36590 0.05400 0.08240 0.01482
F2 0.33333 0.66667 0.18710 0.01279
F3 0.00000 0.00000 0.25000 0.02026
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009548
