#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/68/1536802.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_1536802
loop_
_publ_author_name
'Kodama, N.'
'Tanaka, K.'
'Utsunomiya, T.'
'Marumo, F.'
'Hoshino, Y.'
_publ_section_title
;
 Anharmonic thermal vibrations in lead chloride fluoride (Pb Cl F), an
 ionic conductor.
;
_journal_name_full
;
Kobutsugaku Zasshi (= Journal of the Mineralogical Society of Japan)
;
_journal_page_first              309
_journal_page_last               316
_journal_volume                  16
_journal_year                    1984
_chemical_formula_sum            'Cl F Pb'
_chemical_name_systematic        'Pb Cl F'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.1062
_cell_length_b                   4.1062
_cell_length_c                   7.2264
_cell_volume                     121.843
_citation_journal_id_ASTM        KOBZAI
_cod_data_source_file            Kodama_KOBZAI_1984_940.cif
_cod_data_source_block           Cl1F1Pb1
_cod_original_cell_volume        121.8435
_cod_original_formula_sum        'Cl1 F1 Pb1'
_cod_database_code               1536802
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x,z
-x+1/2,-y+1/2,z
y,-x+1/2,z
x+1/2,-y,-z
y+1/2,x+1/2,-z
-x,y+1/2,-z
-y,-x,-z
-x,-y,-z
y-1/2,-x,-z
x-1/2,y-1/2,-z
-y,x-1/2,-z
-x-1/2,y,z
-y-1/2,-x-1/2,z
x,-y-1/2,z
y,x,z
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
Pb1 Pb+2 0.25 0.25 0.2055 1 0.0
F1 F-1 0.75 0.25 0 1 0.0
Cl1 Cl-1 0.25 0.25 0.6485 1 0.0
