#------------------------------------------------------------------------------
#$Date: 2016-10-28 01:15:25 +0300 (Fri, 28 Oct 2016) $
#$Revision: 187631 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/43/1544380.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_1544380
loop_
_publ_author_name
'Korneychik, O.E.'
'Batuk, M.'
'Abakumov, A.M.'
'Hadermann, J.'
'Rozova, M.G.'
'Sheptyakov, D.V.'
'Pokholok, K.V.'
'Filimonov, D.S.'
'Antipov, E.V.'
_publ_section_title
;
 Pb2.85Ba2.15Fe4SnO13: a new member of the AnBnO3n-2 anion-deficient
 perovskite-based homologous series sample: T = 550 K
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              3150
_journal_page_last               3157
_journal_volume                  184
_journal_year                    2011
_chemical_formula_sum            'Ba2.15 Fe4 O13 Pb2.85 Sn'
_chemical_name_common            Pb2.85Ba2.15Fe4SnO13
_space_group_IT_number           65
_space_group_name_H-M_alt        'A m m m'
_symmetry_space_group_name_Hall  '-A 2 2'
_symmetry_space_group_name_H-M   'A m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.7990(1)
_cell_length_b                   4.04293(7)
_cell_length_c                   26.9561(5)
_cell_volume                     631.984(19)
_cod_data_source_file            Pb2.85Ba2.15Fe4SnO13.cif
_cod_data_source_block           Pb2.85Ba2.15Fe4SnO13
_cod_original_formula_sum        'Pb2.85 Ba2.15 Fe4 Sn O13'
_cod_database_code               1544380
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'x, -y, -z'
'-x, y, z'
'-x, -y, z'
'x, y, -z'
'-x, y, -z'
'x, -y, z'
'x, y+1/2, z+1/2'
'-x, -y+1/2, -z+1/2'
'x, -y+1/2, -z+1/2'
'-x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'x, y+1/2, -z+1/2'
'-x, y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'
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_U_iso_or_equiv
_atom_site_type_symbol
Pb1 1.0 0.500000 0.500000 0.30520(10) Uiso 0.026000 Pb
BaPb1 0.7200 0.000000 0.000000 0.1000(2) Uiso 0.022000 Ba
BaPb1 0.2800 0.000000 0.000000 0.1000(2) Uiso 0.022000 Pb
BaPb2 0.7200 0.500000 0.500000 0.500000 Uiso 0.028000 Ba
BaPb2 0.2800 0.500000 0.500000 0.500000 Uiso 0.028000 Pb
Fe1 1.0 0.000000 0.000000 0.29330(10) Uiso 0.008000 Fe
FeSn1 0.8000 0.500000 0.000000 0.39580(10) Uiso 0.007000 Fe
FeSn1 0.2000 0.500000 0.000000 0.39580(10) Uiso 0.007000 Sn
FeSn2 0.4000 0.000000 0.000000 0.500000 Uiso 0.002000 Fe
FeSn2 0.6000 0.000000 0.000000 0.500000 Uiso 0.002000 Sn
O1 1.0 0.500000 0.500000 0.3873(2) Uiso 0.018000 O
O2 1.0 0.2486(10) 0.000000 0.4456(2) Uiso 0.013000 O
O3 1.0 0.2626(5) 0.000000 0.33440(10) Uiso 0.013000 O
O4 0.5000 0.0294(9) 0.000000 0.21900(10) Uiso 0.005000 O
O5 1.0 0.000000 0.500000 0.500000 Uiso 0.002000 O
