data_9003749
_publ_section_title
;
 Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression
 Sample: P = 0.0001 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1301
_journal_page_last               1307
_journal_paper_doi               10.2138/am.2005.1621
_journal_volume                  90
_journal_year                    2005
_chemical_formula_structural     MgSiO3
_chemical_formula_sum            'Mg O3 Si'
_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                   4.729
_cell_length_b                   4.729
_cell_length_c                   13.559
_cell_volume                     262.601
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    3.809
_[local]_cod_cif_authors_sg_H-M  'R -3'
_[local]_cod_chemical_formula_sum_orig 'Mg Si O3'
_cod_database_code               9003749
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 0.36029 0.00646
Si 0.00000 0.00000 0.15773 0.00380
O 0.32300 0.03660 0.23956 0.00494
