data_global _chemical_name_mineral 'Augite' loop_ _publ_author_name 'Clark J' 'Appleman D' 'Papike J' _journal_name_full 'Mineralogical Society of America Special Paper' _journal_volume 2 _journal_year 1969 _journal_page_first 31 _journal_page_last 50 _publ_section_title ; Crystal-chemical characterization of clinopyroxenes based on eight new structure refinements _cod_database_code 1000035 ; _database_code_amcsd 0000001 _chemical_compound_source 'Kakanui, New Zealand' _chemical_formula_sum 'Na.09 Ca.616 Mg.902 Fe.21 Al.342 Ti.02 Si1.82 O6' _cell_length_a 9.699 _cell_length_b 8.844 _cell_length_c 5.272 _cell_angle_alpha 90 _cell_angle_beta 106.97 _cell_angle_gamma 90 _cell_volume 432.531 _exptl_crystal_density_diffrn 3.343 _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 _atom_site_occupancy Na1 0.00000 0.29520 0.25000 0.09000 Ca1 0.00000 0.29520 0.25000 0.61600 Mg1 0.00000 0.90630 0.25000 0.71500 Mg2 0.00000 0.29520 0.25000 0.18700 Fe1 0.00000 0.29520 0.25000 0.10700 Fe2 0.00000 0.90630 0.25000 0.10300 Al1 0.00000 0.90630 0.25000 0.18200 Al2 0.28960 0.09240 0.23530 0.08000 Ti1 0.28960 0.09240 0.23530 0.01000 Si1 0.28960 0.09240 0.23530 0.91000 O1 0.11500 0.08650 0.14020 1.00000 O2 0.36470 0.25300 0.32600 1.00000 O3 0.32560 0.01850 0.00130 1.00000