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#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/08/9000851.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_9000851
loop_
_publ_author_name
'Horiuchi, H.'
'Hirano, M.'
'Ito, E.'
'Matsui, Y.'
_publ_section_title
;
 MgSiO3 (ilmenite-type): Single crystal X-ray diffraction study
;
_journal_name_full               'American Mineralogist'
_journal_page_first              788
_journal_page_last               793
_journal_volume                  67
_journal_year                    1982
_chemical_formula_sum            'Mg O3 Si'
_chemical_name_mineral           Akimotoite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.7284
_cell_length_b                   4.7284
_cell_length_c                   13.5591
_cell_formula_units_Z            6
_cell_volume                     262.537
_database_code_amcsd             0000870
_exptl_crystal_density_diffrn    3.810
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Si Mg O3'
_cod_database_code               9000851
loop_
_space_group_symop_operation_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
y,-x+y,-z
2/3+y,1/3-x+y,1/3-z
1/3+y,2/3-x+y,2/3-z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
-x,-y,-z
2/3-x,1/3-y,1/3-z
1/3-x,2/3-y,2/3-z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
x-y,x,-z
2/3+x-y,1/3+x,1/3-z
1/3+x-y,2/3+x,2/3-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
Si 0.00535 0.00535 0.00531 0.00268 0.00000 0.00000
Mg 0.00849 0.00849 0.00550 0.00425 0.00000 0.00000
O 0.00578 0.00510 0.00745 0.00289 -0.00028 0.00028
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si 0.00000 0.00000 0.15768
Mg 0.00000 0.00000 0.35970
O 0.32140 0.03610 0.24077
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000870
