#------------------------------------------------------------------------------
#$Date: 2010-04-11 07:25:02 +0300 (Sun, 11 Apr 2010) $
#$Revision: 1079 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9013444.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9013444
loop_
_publ_author_name
'Gavarri, J. R.'
'Weigel, D.'
'Hewat, A. W.'
_publ_section_title
;
 Oxydes de plomb. IV. Evolution structurale de l'oxyde Pb3O4 entre 240 et 5 K et
 mecanisme de la transition
 Locality: synthetic
 Sample: T = 180 K
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              327
_journal_page_last               339
_journal_volume                  23
_journal_year                    1978
_chemical_formula_sum            'O4 Pb3'
_chemical_name_mineral           Minium
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.8193
_cell_length_b                   8.8008
_cell_length_c                   6.5618
_cell_volume                     509.307
_diffrn_ambient_temperature      180
_exptl_crystal_density_diffrn    8.941
_[local]_cod_data_source_file    cifdata.txt
_[local]_cod_data_source_block   'global_12254'
_[local]_cod_chemical_formula_sum_orig 'Pb3 O4'
_cod_database_code               9013444
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,z
1/2-x,1/2+y,-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
x,y,-z
-x,-y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pb4+ 0.00000 0.50000 0.24830
Pb2+1 0.14240 0.16040 0.00000
Pb2+2 0.16380 0.85610 0.50000
O1 0.67200 0.17200 0.24200
O2C 0.09430 0.63610 0.00000
O2A 0.13520 0.59600 0.50000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Pb4+ 0.01431 0.01229 0.00722 0.00000 0.00000 0.00000
Pb2+1 0.01431 0.01229 0.00722 0.00000 0.00000 0.00000
Pb2+2 0.01431 0.01229 0.00722 0.00000 0.00000 0.00000
O1 0.01431 0.01229 0.00722 0.00000 0.00000 0.00000
O2C 0.01431 0.01229 0.00722 0.00000 0.00000 0.00000
O2A 0.01431 0.01229 0.00722 0.00000 0.00000 0.00000