#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/05/9000501.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_9000501
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 = 1 atm, in a high-pressure cell
 with absorption curve #1
;
_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                   4.212
_cell_length_b                   4.212
_cell_length_c                   4.212
_cell_formula_units_Z            4
_cell_volume                     74.725
_database_code_amcsd             0000512
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      296.15
_exptl_crystal_density_diffrn    3.583
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9000501
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
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1/2-x,y,1/2-z
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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
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1/2-z,-x,1/2+y
1/2-z,1/2-x,y
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1/2-x,-y,1/2+z
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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z,1/2+x,1/2+y
1/2+z,x,1/2+y
1/2+z,1/2+x,y
-y,-z,-x
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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 0.00545
O 0.50000 0.50000 0.50000 0.00709
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000512
2 ChemSpider 5254017
