#------------------------------------------------------------------------------
#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/41/9014175.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_9014175
loop_
_publ_author_name
'Bolzan, A. A.'
'Fong, C.'
'Kennedy, B. J.'
'Howard, C. J.'
_publ_section_title
;
 Structural studies of rutile-type metal dioxides
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              373
_journal_page_last               380
_journal_volume                  53
_journal_year                    1997
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O2 Pb'
_chemical_name_mineral           Plattnerite
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.9577
_cell_length_b                   4.9577
_cell_length_c                   3.3879
_cell_volume                     83.270
_database_code_amcsd             0019244
_exptl_crystal_density_diffrn    9.540
_cod_original_formula_sum        'Pb O2'
_cod_database_code               9014175
loop_
_space_group_symop_operation_xyz
x,y,z
-y,-x,z
y,x,-z
1/2+y,1/2-x,1/2-z
1/2-y,1/2+x,1/2+z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
x,y,-z
-x,-y,z
y,x,z
-y,-x,-z
1/2-y,1/2+x,1/2-z
1/2+y,1/2-x,1/2+z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-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
Pb 0.00860 0.00860 0.00500 0.00100 0.00000 0.00000
O 0.01400 0.01400 0.00720 0.00700 0.00000 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pb 0.00000 0.00000 0.00000
O 0.30720 0.30720 0.00000