#------------------------------------------------------------------------------
#$Date: 2015-10-09 14:40:27 +0200 (vie 09 de oct de 2015) $
#$Revision: 162017 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/49/1534937.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_1534937
loop_
_publ_author_name
'Malakho, A.P.'
'Morozov, V.A.'
'Lazoryak, B.I.'
'Pokholok, K.V.'
'van Tendeloo, G.'
_publ_section_title
;
 Layered ordering of vacancies of lead iron phosphate Pb3 Fe2 (P O4)4
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              397
_journal_page_last               404
_journal_volume                  7
_journal_year                    2005
_chemical_formula_sum            'Fe2 O16 P4 Pb3'
_chemical_name_systematic        'Pb3 Fe2 (P O4)4'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.88
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.0065
_cell_length_b                   9.0574
_cell_length_c                   9.3057
_cell_volume                     677.098
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Malakho_SSSCFJ_2005_1671.cif
_cod_data_source_block           Fe2O16P4Pb3
_cod_original_cell_volume        677.0984
_cod_database_code               1534937
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
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
O3 O-2 0.389 0.847 0.971 1 0.0
O1 O-2 0.321 0.041 0.131 1 0.0
O6 O-2 0.911 0.201 0.762 1 0.0
Pb1 Pb+2 0 0 0 1 0.0
P1 P+5 0.5771 0.0897 0.8628 1 0.0
O8 O-2 0.077 0.496 0.252 1 0.0
O4 O-2 0.401 0.714 0.737 1 0.0
P2 P+5 0.9828 0.3606 0.1546 1 0.0
O5 O-2 0.907 0.754 0.873 1 0.0
O7 O-2 0.839 0.405 0 1 0.0
Fe1 Fe+3 0.2472 0.6316 0.2453 1 0.0
Pb2 Pb+2 0.3003 0.2934 0.0296 1 0.0
O2 O-2 0.382 0.459 0.257 1 0.0
