data_global _chemical_name_mineral 'Aegirine' 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 = 800 C pyroxene ; _database_code_amcsd 339 _chemical_formula_sum 'Si2 Fe Na O6' _cell_length_a 9.711 _cell_length_b 8.876 _cell_length_c 5.312 _cell_angle_alpha 90.0 _cell_angle_beta 107.29 _cell_angle_gamma 90.0 _cell_volume 437.177 _exptl_crystal_density_diffrn 3.51 _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 0.2902 0.0888 0.2327 Fe1 0.0 0.8969 0.25 Na2 0.0 0.3002 0.25 O1 0.1146 0.0771 0.1356 O2 0.3588 0.2532 0.2967 O3 0.3507 0.007 0.0093 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 0.01185 0.0174 0.01329 -2.04299 0.0035 -0.63859 Fe1 0.01442 0.01824 0.01557 0.0 0.00291 0.0 Na2 0.05714 0.03424 0.03377 0.0 -0.00343 0.0 O1 0.01198 0.02558 0.01801 -1.66775 0.00264 2.0298 O2 0.0257 0.02036 0.03139 -0.00884 0.00843 -0.00253 O3 0.01829 0.03233 0.01845 -0.6254 0.00541 -0.00648