data_global _chemical_name_mineral 'Hedenbergite' loop_ _publ_author_name 'Cameron M' 'Sueno S' 'Prewitt C T' 'Papike J J' _journal_name_full 'American Mineralogist' _journal_volume 58 _journal_year 1973 _journal_page_first 594 _journal_page_last 618 _publ_section_title ; High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite, spodumene, and ureyite T = 24 C pyroxene ; _database_code_amcsd 0000345 _chemical_formula_sum 'Si2 Fe Ca O6' _cell_length_a 9.845 _cell_length_b 9.024 _cell_length_c 5.245 _cell_angle_alpha 90 _cell_angle_beta 104.74 _cell_angle_gamma 90 _cell_volume 450.638 _exptl_crystal_density_diffrn 3.657 _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 Si 0.28780 0.09240 0.23260 Fe1 0.00000 0.90750 0.25000 Ca2 0.00000 0.30030 0.25000 O1 0.11970 0.09040 0.15250 O2 0.36270 0.24610 0.32280 O3 0.35020 0.01980 0.99320 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 0.00510 0.00479 0.00468 -0.00017 0.00130 -0.00051 Fe1 0.00583 0.00491 0.00572 0.00000 0.00125 0.00000 Ca2 0.00987 0.00705 0.00693 0.00000 0.00015 0.00000 O1 0.00551 0.00916 0.00717 0.00074 0.00108 -0.00016 O2 0.01153 0.00817 0.00954 -0.00283 0.00210 -0.00093 O3 0.00758 0.01015 0.00759 -0.00061 0.00254 -0.00260