#------------------------------------------------------------------------------
#$Date: 2024-04-25 16:59:02 +0200 (jue 25 de abr de 2024) $
#$Revision: 291351 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/40/9004001.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_9004001
loop_
_publ_author_name
'Ono, S.'
'Kikegawa, T.'
'Ohishi, Y.'
_publ_section_title
;
 Equation of state of CaIrO3-type MgSiO3 up to 144 GPa
 Sample: P = 116 GPa, T = 300 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              475
_journal_page_last               478
_journal_paper_doi               10.2138/am.2006.2118
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source        'synthetic sample'
_chemical_formula_structural     MgSiO3
_chemical_formula_sum            'Mg O3 Si'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_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                   2.4687
_cell_length_b                   8.1165
_cell_length_c                   6.1514
_cell_formula_units_Z            4
_cell_volume                     123.257
_database_code_amcsd             0004125
_diffrn_ambient_pressure         1.16e+08
_diffrn_ambient_temperature      300
_exptl_crystal_density_diffrn    5.410
_cod_original_formula_sum        'Mg Si O3'
_cod_database_code               9004001
_amcsd_formula_title             MgSiO3
loop_
_space_group_symop_operation_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 0.25650 0.25000
Si 0.00000 0.00000 0.00000
O1 0.00000 0.94300 0.25000
O2 0.00000 0.64000 0.44240
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0004125
