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#$Date: 2013-03-29 12:50:04 +0200 (Fri, 29 Mar 2013) $
#$Revision: 77877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/37/9003756.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_9003756
loop_
_publ_author_name
'Yamanaka, T.'
'Komatsu, Y.'
'Sugahara, M.'
'Nagai, T.'
_publ_section_title
;
 Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression
 Sample: P = 8.1 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1301
_journal_page_last               1307
_journal_volume                  90
_journal_year                    2005
_chemical_formula_structural     MgGeO3
_chemical_formula_sum            'Ge Mg O3'
_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                   4.880
_cell_length_b                   4.880
_cell_length_c                   13.502
_cell_volume                     278.464
_diffrn_ambient_pressure         8.1e+06
_exptl_crystal_density_diffrn    5.185
_[local]_cod_cif_authors_sg_H-M  'R -3'
_[local]_cod_chemical_formula_sum_orig 'Mg Ge O3'
_cod_database_code               9003756
_amcsd_database_code             AMCSD#0003874
loop_
_symmetry_equiv_pos_as_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_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mg 0.00000 0.00000 0.35870 0.00469
Ge 0.00000 0.00000 0.15350 0.00241
O 0.31830 0.02620 0.24450 0.00241