#------------------------------------------------------------------------------
#$Date: 2023-03-24 18:37:27 +0200 (Fri, 24 Mar 2023) $
#$Revision: 282053 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/22/9012287.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_9012287
loop_
_publ_author_name
'Gross, S. T.'
_publ_section_title
;
 The crystal structure of Pb3O4
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1107
_journal_page_last               1110
_journal_paper_doi               10.1021/ja01246a029
_journal_volume                  65
_journal_year                    1943
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O4 Pb3'
_chemical_name_mineral           Minium
_space_group_IT_number           117
_symmetry_space_group_name_Hall  'P -4 -2ab'
_symmetry_space_group_name_H-M   'P -4 b 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.86
_cell_length_b                   8.86
_cell_length_c                   6.66
_cell_volume                     522.807
_database_code_amcsd             0014078
_exptl_crystal_density_diffrn    8.710
_cod_original_formula_sum        'Pb3 O4'
_cod_database_code               9012287
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+y,1/2+x,-z
y,-x,-z
1/2+x,1/2-y,z
-x,-y,z
1/2-y,1/2-x,-z
-y,x,-z
1/2-x,1/2+y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pb4+ 0.00000 0.50000 0.00000
Pb2+1 0.00000 0.50000 0.50000
Pb2+2 0.14000 0.16500 0.25000
O1 0.17000 0.33000 0.50000
O2 0.17000 0.33000 0.00000
O3 0.40000 0.10000 0.25000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 26666405