data_global _chemical_name_mineral 'Pertoldite' loop_ _publ_author_name 'Smith G S' 'Isaacs P B' _journal_name_full 'Acta Crystallographica' _journal_volume 17 _journal_year 1964 _journal_page_first 842 _journal_page_last 846 _publ_section_title ; The crystal structure of quartz-like GeO2 ; _database_code_amcsd 0009284 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ge O2' _cell_length_a 4.987 _cell_length_b 4.987 _cell_length_c 5.652 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 121.734 _exptl_crystal_density_diffrn 4.281 _symmetry_space_group_name_H-M 'P 32 2 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'y,x,2/3-z' '-y,x-y,2/3+z' '-x,-x+y,1/3-z' '-x+y,-x,1/3+z' 'x-y,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ge 0.45130 0.00000 0.00000 O 0.39690 0.30210 0.09090 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 Ge 0.00718 0.00633 0.00680 0.00321 0.00000 0.00000 O 0.01814 0.01342 0.01343 0.01115 -0.00495 -0.00371