#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/34/9013446.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_9013446
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 = 5 K
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              327
_journal_page_last               339
_journal_paper_doi               10.1016/0022-4596(78)90081-6
_journal_volume                  23
_journal_year                    1978
_chemical_compound_source        Synthetic
_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                   9.1305
_cell_length_b                   8.4629
_cell_length_c                   6.5677
_cell_formula_units_Z            4
_cell_volume                     507.490
_database_code_amcsd             0013358
_diffrn_ambient_temperature      5
_exptl_crystal_density_diffrn    8.973
_cod_original_formula_sum        'Pb3 O4'
_cod_database_code               9013446
loop_
_space_group_symop_operation_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_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+ 0.00798 0.00874 -0.00009 0.00000 0.00000 0.00000
Pb2+1 0.00798 0.00874 -0.00009 0.00000 0.00000 0.00000
Pb2+2 0.00798 0.00874 -0.00009 0.00000 0.00000 0.00000
O1 0.00798 0.00874 -0.00009 0.00000 0.00000 0.00000
O2C 0.00798 0.00874 -0.00009 0.00000 0.00000 0.00000
O2A 0.00798 0.00874 -0.00009 0.00000 0.00000 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pb4+ 0.00000 0.50000 0.24870
Pb2+1 0.15400 0.15340 0.00000
Pb2+2 0.17020 0.87000 0.50000
O1 0.67160 0.17260 0.25000
O2C 0.09230 0.64100 0.00000
O2A 0.12940 0.59890 0.50000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 26666405
2 AMCSD 0013358
