#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/56/1525672.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_1525672
loop_
_publ_author_name
'Berastegui, P.'
'Eriksson, S.G.'
'Hull, S.'
_publ_section_title
;
 A low-temperature structural phase transition in Cs Pb F3
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              5077
_journal_page_last               5088
_journal_volume                  13
_journal_year                    2001
_chemical_formula_sum            'Cs F3 Pb'
_chemical_name_systematic        'Cs (Pb F3)'
_space_group_IT_number           161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   6.84993
_cell_length_b                   6.84993
_cell_length_c                   16.1205
_cell_volume                     655.060
_citation_journal_id_ASTM        JCOMEL
_cod_data_source_file            Berastegui_JCOMEL_2001_1354.cif
_cod_data_source_block           Cs1F3Pb1
_cod_original_cell_volume        655.0605
_cod_original_formula_sum        'Cs1 F3 Pb1'
_cod_database_code               1525672
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+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-y+2/3,-x+1/3,z+5/6
x+2/3,x-y+1/3,z+5/6
-x+y+2/3,y+1/3,z+5/6
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-y+1/3,-x+2/3,z+7/6
x+1/3,x-y+2/3,z+7/6
-x+y+1/3,y+2/3,z+7/6
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
Cs1 Cs+1 0 0 0.2428 1 0.0
Pb1 Pb+2 0 0 -0.0076 1 0.0
F1 F-1 0.5319 -0.0327 0.25 1 0.0
