#------------------------------------------------------------------------------
#$Date: 2024-05-29 16:00:33 +0200 (Wed 29 de May de 2024) $
#$Revision: 292100 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/70/9017014.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_9017014
loop_
_publ_author_name
'Grocholski, B.'
'Shim, S. H.'
'Cottrell, E.'
'Prakapenka, V. B.'
_publ_section_title
;
 Crystal structure and compressibility of lead dioxide up to 140 GPa
 Note: P = 39.0 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              170
_journal_page_last               177
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O2 Pb'
_chemical_name_mineral           Plattnerite
_space_group_IT_number           62
_space_group_name_Hall           '-P 2c 2n'
_space_group_name_H-M_alt        'P n a m'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.426
_cell_length_b                   6.389
_cell_length_c                   3.362
_cell_formula_units_Z            4
_cell_volume                     116.549
_database_code_amcsd             0020163
_diffrn_ambient_pressure         3.9e+07
_exptl_crystal_density_diffrn    13.632
_cod_data_source_file            inputs/fixed/downloads/05/05645.cif
_cod_data_source_block           05645
_cod_original_formula_sum        'Pb O2'
_cod_database_code               9017014
loop_
_space_group_symop_operation_xyz
x,y,z
x,y,1/2-z
-x,-y,1/2+z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,1/2-y,z
1/2-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pb 0.25800 0.10300 0.25000
O1 0.33800 0.44000 0.25000
O2 0.06100 0.34400 0.75000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020163
