data_global _chemical_name_mineral 'Pertoldite' loop_ _publ_author_name 'Yamanaka T' 'Ogata K' _journal_name_full 'Journal of Applied Crystallography' _journal_volume 24 _journal_year 1991 _journal_page_first 111 _journal_page_last 118 _publ_section_title ; Structure refinement of GeO2 polymorphs at high pressures and temperatures by energy-dispersive spectra of powder diffraction Note: P = 3.55 GPa T = 293 K ; _database_code_amcsd 0019058 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ge O2' _cell_length_a 4.8546 _cell_length_b 4.8546 _cell_length_c 5.5943 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 114.178 _exptl_crystal_density_diffrn 4.564 _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 _atom_site_U_iso_or_equiv Ge 0.44900 0.00000 0.00000 0.01013 O 0.39090 0.31020 0.08320 0.01900