#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/23/1532319.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1532319
loop_
_publ_author_name
'Winkler, B.'
'Knorr, K.'
'Milman, V.'
_publ_section_title
;
 Prediction of the structure of La F3 at high pressures
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              111
_journal_page_last               113
_journal_volume                  349
_journal_year                    2003
_chemical_formula_sum            'F3 La'
_chemical_name_systematic        'La F3'
_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_formula_units_Z            6
_cell_length_a                   7.305
_cell_length_b                   7.305
_cell_length_c                   7.478
_cell_volume                     345.586
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Winkler_JALCEU_2003_1284.cif
_cod_data_source_block           F3La1
_cod_original_cell_volume        345.5863
_cod_original_formula_sum        'F3 La1'
_cod_database_code               1532319
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z+1/2
-x,-x+y,-z+1/2
x-y,-y,-z+1/2
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z-1/2
x,x-y,z-1/2
-x+y,y,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
F1 F-1 0.3684 0.058 0.0808 1 0.0
F3 F-1 0 0 0.25 1 0.0
La1 La+3 0.6591 0 0.25 1 0.0
F2 F-1 0.3333 0.6667 0.1871 1 0.0
