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#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009217.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9009217
loop_
_publ_author_name
'Murakami M'
'Hirose K'
'Kawamura K'
'Sata N'
'Ohishi Y'
_publ_section_title
;
 Post-perovskite phase transition in MgSiO3
 Sample: P = 121 GPa, T = 300 K
 Note: CaIrO3-type structure from ab initio calculations using observed cell parameters
;
_journal_name_full               Science
_journal_page_first              855
_journal_page_last               858
_journal_volume                  304
_journal_year                    2004
_chemical_formula_sum            'Mg O3 Si'
_[local]_cod_chemical_formula_sum_orig 'Mg Si O3'
_chemical_name_mineral           MgSiO3
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   2.456
_cell_length_b                   8.042
_cell_length_c                   6.093
_cell_volume                     120.344
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,y,z
1/2-x,1/2+y,z
x,-y,-z
1/2+x,1/2-y,-z
x,y,1/2-z
1/2+x,1/2+y,1/2-z
-x,-y,1/2+z
1/2-x,1/2-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mg 0.00000 0.25300 0.25000
Si 0.00000 0.00000 0.00000
O1 0.00000 0.92300 0.25000
O2 0.00000 0.63100 0.43600