data_global _chemical_name_mineral 'Cristobalite' loop_ _publ_author_name 'Pluth J J' 'Smith J V' 'Faber J' _journal_name_full 'Journal of Applied Physics' _journal_volume 57 _journal_year 1985 _journal_page_first 1045 _journal_page_last 1049 _publ_section_title ; Crystal structure of low cristobalite at 10, 293, and 473 K: Variation of framework geometry with temperature Sample: T = 10 K ; _database_code_amcsd 0012928 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Si O2' _cell_length_a 4.9570 _cell_length_b 4.9570 _cell_length_c 6.8903 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 169.307 _exptl_crystal_density_diffrn 2.357 _symmetry_space_group_name_H-M 'P 41 21 2' loop_ _space_group_symop_operation_xyz 'x,y,z' 'y,x,-z' '1/2-y,1/2+x,1/4+z' '1/2-x,1/2+y,1/4-z' '-x,-y,1/2+z' '-y,-x,1/2-z' '1/2+y,1/2-x,3/4+z' '1/2+x,1/2-y,3/4-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Si 0.30470 0.30470 0.00000 O 0.23810 0.11090 0.18260 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 0.00187 0.00187 0.00289 0.00050 0.00087 -0.00087 O 0.00909 0.00050 0.00529 -0.00075 0.00104 0.00225