data_global _chemical_name_mineral 'Cristobalite' loop_ _publ_author_name 'Peacor D R' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 138 _journal_year 1973 _journal_page_first 274 _journal_page_last 298 _publ_section_title ; High-temperature single-crystal study of the cristobalite inversion Note: Cell has been corrected Sample: T = 142 C ; _database_code_amcsd 0010750 _chemical_compound_source 'Ellora Caves, Hyderabad State, India' _chemical_formula_sum 'Si O2' _cell_length_a 4.989 _cell_length_b 4.989 _cell_length_c 6.991 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 174.007 _exptl_crystal_density_diffrn 2.294 _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 0.29767 0.29767 0.00000 O 0.24102 0.09994 0.17602 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 0.01293 0.01293 0.01358 -0.00037 0.00146 -0.00146 O 0.04308 0.01470 0.02214 -0.00215 0.00835 0.00448