data_global _chemical_name_mineral 'Stishovite' loop_ _publ_author_name 'Hill R J' 'Newton M D' 'Gibbs G V' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 47 _journal_year 1983 _journal_page_first 185 _journal_page_last 200 _publ_section_title ; A crystal chemical study of stishovite ; _database_code_amcsd 0013504 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Si O2' _cell_length_a 4.1773 _cell_length_b 4.1773 _cell_length_c 2.6655 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 46.513 _exptl_crystal_density_diffrn 4.290 _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 0.30608 0.30608 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 0.00235 0.00235 0.00177 0.00014 0.00000 0.00000 O 0.00306 0.00306 0.00231 -0.00095 0.00000 0.00000