#------------------------------------------------------------------------------
#$Date: 2016-11-05 12:13:28 +0200 (Sat, 05 Nov 2016) $
#$Revision: 187868 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/45/1544504.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_1544504
loop_
_publ_author_name
'Tsuchiya, T.'
'Katsumata, T.'
'Ohba, T.'
'Inaguma, Y.'
_publ_section_title
;
 High-pressure synthesis and characterization of a novel perovskite
 PbFe1/2V1/2O3
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              102
_journal_page_last               105
_journal_volume                  117
_journal_year                    2009
_chemical_formula_sum            'Fe0.5 O3 Pb V0.5'
_chemical_name_common            PbFe0.5V0.5O3
_space_group_IT_number           99
_space_group_name_H-M_alt        'P 4 m m'
_symmetry_space_group_name_Hall  'P 4 -2'
_symmetry_space_group_name_H-M   'P 4 m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8034(2)
_cell_length_b                   3.8034(2)
_cell_length_c                   4.5097(3)
_cell_volume                     65.237(7)
_cod_data_source_file            PbFe0.5V0.5O3.cif
_cod_data_source_block           PbFe0.5V0.5O3
_cod_original_formula_sum        'Pb Fe0.5 V0.5 O3'
_cod_database_code               1544504
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-y, x, z'
'y, -x, z'
'x, -y, z'
'-x, y, z'
'-y, -x, z'
'y, x, z'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Pb 1.0 0.000000 0.000000 0.000000 Biso 0.580000 Pb
FeV 0.5000 0.500000 0.500000 0.5430(10) Biso 0.010000 Fe
FeV 0.5000 0.500000 0.500000 0.5430(10) Biso 0.010000 V
O1 1.0 0.500000 0.000000 0.650(2) Biso 1.000000 O
O2 1.0 0.500000 0.500000 0.182(4) Biso 1.000000 O
