#------------------------------------------------------------------------------
#$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $
#$Revision: 77586 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/05/9000503.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_9000503
loop_
_publ_author_name
'Hazen, R. M.'
_publ_section_title
;Effects of temperature and pressure on the cell dimension and X-ray
 temperature factors of periclase T = 23 C, P = 17 kbar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              266
_journal_page_last               271
_journal_volume                  61
_journal_year                    1976
_chemical_formula_sum            'Mg O'
_chemical_name_mineral           Periclase
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.198
_cell_length_b                   4.198
_cell_length_c                   4.198
_cell_volume                     73.982
_diffrn_ambient_pressure         1.7e+06
_diffrn_ambient_temperature      296.15
_exptl_crystal_density_diffrn    3.619
_[local]_cod_cif_authors_sg_H-M  'F m 3 m'
_cod_database_code               9000503
_amcsd_database_code             AMCSD#0000513
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
z,-x,y
z,1/2-x,1/2+y
1/2+z,-x,1/2+y
1/2+z,1/2-x,y
-y,z,-x
-y,1/2+z,1/2-x
1/2-y,z,1/2-x
1/2-y,1/2+z,-x
x,-y,z
x,1/2-y,1/2+z
1/2+x,-y,1/2+z
1/2+x,1/2-y,z
-z,x,-y
-z,1/2+x,1/2-y
1/2-z,x,1/2-y
1/2-z,1/2+x,-y
y,-z,x
y,1/2-z,1/2+x
1/2+y,-z,1/2+x
1/2+y,1/2-z,x
-x,y,-z
-x,1/2+y,1/2-z
1/2-x,y,1/2-z
1/2-x,1/2+y,-z
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x,1/2-z,1/2-y
1/2+x,-z,1/2-y
1/2+x,1/2-z,-y
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1/2-z,y,1/2+x
1/2-z,1/2+y,x
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1/2+y,-x,1/2-z
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1/2-z,-x,1/2+y
1/2-z,1/2-x,y
y,z,-x
y,1/2+z,1/2-x
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1/2-x,1/2-y,z
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1/2-z,x,1/2+y
1/2-z,1/2+x,y
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1/2+y,-z,1/2-x
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-x,y,z
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1/2-y,z,1/2+x
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1/2+z,x,1/2+y
1/2+z,1/2+x,y
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1/2-y,-z,1/2-x
1/2-y,1/2-z,-x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mg 0.00000 0.00000 0.00000 0.00380
O 0.50000 0.50000 0.50000 0.00633