data_global _chemical_name_mineral 'Clinopyroxene' loop_ _publ_author_name 'Hattori T' 'Nagai T' 'Yamanaka T' 'Werner S' 'Schulz H' _journal_name_full 'American Mineralogist' _journal_volume 85 _journal_year 2000 _journal_page_first 1485 _journal_page_last 1491 _publ_section_title ; Single-crystal X-ray diffraction study of FeGeO3 high-P clinopyroxene (C2/c) up to 8.2 GPa Sample: Ideal pyroxene structure ; _database_code_amcsd 0002574 _chemical_formula_sum 'Fe Ge O3' _cell_length_a 9.287 _cell_length_b 8.400 _cell_length_c 4.850 _cell_angle_alpha 90 _cell_angle_beta 100.025 _cell_angle_gamma 90 _cell_volume 372.576 _exptl_crystal_density_diffrn 6.292 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Fe1 0.00000 0.91667 0.25000 Fe2 0.00000 0.25000 0.25000 Ge 0.31250 0.08333 0.18750 O1 0.12500 0.08333 0.12500 O2 0.37500 0.25000 0.37500 O3 0.37500 0.08333 0.87500