data_global
_chemical_name_mineral 'Stishovite'
loop_
_publ_author_name
'Yamanaka T'
'Fukuda T'
'Tsuchiya J'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 29 
_journal_year 2002
_journal_page_first 633
_journal_page_last 641
_publ_section_title
;
 Bonding character of SiO2 stishovite under high pressures up to 30 GPa
 Sample: P = 9.26 GPa
;
_database_code_amcsd 0008737
_chemical_formula_sum 'Si O2'
_cell_length_a 4.134
_cell_length_b 4.134
_cell_length_c 2.6540
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 45.357
_exptl_crystal_density_diffrn      4.399
_symmetry_space_group_name_H-M 'P 42/m n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,z'
  'y,x,-z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,1/2+x,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  'x,y,-z'
  '-x,-y,z'
  'y,x,z'
  '-y,-x,-z'
  '1/2-y,1/2+x,1/2-z'
  '1/2+y,1/2-x,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si   0.00000   0.00000   0.00000
O   0.30560   0.30560   0.00000
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 0.00476 0.00476 0.00507 0.00182 0.00000 0.00000
O 0.00442 0.00442 0.00321 0.00078 0.00000 0.00000