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#$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $
#$Revision: 77586 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/11/9011159.cif $
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#
# 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_9011159
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
 Locality: synthetic Note: cell parameters taken from Zalkin et al. Inorg.
 Chem 5 (1966) 1466-1468
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              94
_journal_page_last               97
_journal_volume                  32
_journal_year                    1976
_chemical_formula_sum            'F3 La'
_chemical_name_mineral           Fluocerite-(La)
_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                   7.185
_cell_length_b                   7.185
_cell_length_c                   7.351
_cell_volume                     328.648
_exptl_crystal_density_diffrn    5.939
_[local]_cod_chemical_formula_sum_orig 'La F3'
_cod_database_code               9011159
_amcsd_database_code             AMCSD#0009455
loop_
_symmetry_equiv_pos_as_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
La 0.66090 0.00000 0.25000 0.00304
F1 0.36670 0.05400 0.08240 0.00887
F2 0.33333 0.66667 0.18550 0.00887
F3 0.00000 0.00000 0.25000 0.00887