data_9010192
_publ_section_title
;Rhombohedral (9R) and hexagonal (6H) perovskites in barium silicates under
 high pressure Sample: P = 27.9 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              648
_journal_page_last               654
_journal_paper_doi               10.2138/am.2007.2314
_journal_volume                  92
_journal_year                    2007
_chemical_formula_structural     BaSiO3
_chemical_formula_sum            'Ba O3 Si'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.3002
_cell_length_b                   5.3002
_cell_length_c                   19.2351
_cell_volume                     467.961
_diffrn_ambient_pressure         2.79e+07
_exptl_crystal_density_diffrn    6.816
_[local]_cod_cif_authors_sg_H-M  'R -3 m'
_[local]_cod_chemical_formula_sum_orig 'Ba Si O3'
_cod_database_code               9010192
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
x,x-y,z
2/3+x,1/3+x-y,1/3+z
1/3+x,2/3+x-y,2/3+z
y,x,-z
2/3+y,1/3+x,1/3-z
1/3+y,2/3+x,2/3-z
-x+y,y,z
2/3-x+y,1/3+y,1/3+z
1/3-x+y,2/3+y,2/3+z
-x,-x+y,-z
2/3-x,1/3-x+y,1/3-z
1/3-x,2/3-x+y,2/3-z
-y,-x,z
2/3-y,1/3-x,1/3+z
1/3-y,2/3-x,2/3+z
x-y,-y,-z
2/3+x-y,1/3-y,1/3-z
1/3+x-y,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
Ba1 0.00000 0.00000 0.00000 0.00540
Ba2 0.00000 0.00000 0.21270 0.00650
Si1 0.00000 0.00000 0.50000 0.00850
Si2 0.00000 0.00000 0.36960 0.00850
O1 0.50000 0.00000 0.00000 0.00400
O2 0.14160 -0.14160 0.55630 0.00430
