#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/79/1527916.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_1527916
loop_
_publ_author_name
'Pannetier, J.'
'Batail, P.'
_publ_section_title
;
 Pb4 Fe3 O8 Cl: Synthesis, crystal structure, and the thermal expansion
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              15
_journal_page_last               21
_journal_volume                  39
_journal_year                    1981
_chemical_formula_sum            'Cl Fe3 O8 Pb4'
_chemical_name_systematic        'Pb4 Fe3 O8 Cl'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.9097
_cell_length_b                   3.9097
_cell_length_c                   15.2873
_cell_volume                     233.678
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Pannetier_JSSCBI_1981_1503.cif
_cod_data_source_block           Cl1Fe3O8Pb4
_cod_original_cell_volume        233.6779
_cod_original_formula_sum        'Cl1 Fe3 O8 Pb4'
_cod_database_code               1527916
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,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
Fe2 Fe+3 0 0 0.5 1 0.0
O3 O-2 0 0.5 0.5 1 0.0
Cl1 Cl-1 0 0 0 1 0.0
Pb1 Pb+2 0.5 0.5 0.1201 1 0.0
Pb2 Pb+2 0.5 0.5 0.3802 1 0.0
Fe1 Fe+3 0 0 0.244 1 0.0
O2 O-2 0 0 0.37 1 0.0
O1 O-2 0 0.5 0.212 1 0.0
