data_global _chemical_name_mineral 'Jadeite' loop_ _publ_author_name 'Oberti R' 'Caporuscio F A' _journal_name_full 'American Mineralogist' _journal_volume 76 _journal_year 1991 _journal_page_first 1141 _journal_page_last 1152 _publ_section_title ; Crystal chemistry of clinopyroxenes from mantle eclogites: A study of the key role of the M2 site population by means of crystal-structure refinement sample SBB 37, Di45Jd48, diopside - jadeite join ; _database_code_amcsd 0001370 _chemical_formula_sum 'Al.58 Mg.4 Fe.07 Ti.01 Na.47 Ca.45 Si1.97 O6' _cell_length_a 9.551 _cell_length_b 8.724 _cell_length_c 5.247 _cell_angle_alpha 90 _cell_angle_beta 106.97 _cell_angle_gamma 90 _cell_volume 418.159 _exptl_crystal_density_diffrn 3.335 _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 _atom_site_U_iso_or_equiv Al1 0.00000 0.90550 0.25000 0.55000 0.00659 Mg1 0.00000 0.90550 0.25000 0.40000 0.00659 Fe1 0.00000 0.90550 0.25000 0.04000 0.00659 Ti1 0.00000 0.90550 0.25000 0.01000 0.00659 Na2 0.00000 0.30080 0.25000 0.47000 0.01102 Ca2 0.00000 0.30080 0.25000 0.45000 0.01102 Fe2 0.00000 0.30080 0.25000 0.03000 0.01102 Si 0.28860 0.09280 0.22820 0.98500 0.00557 Al 0.28860 0.09280 0.22820 0.01500 0.00557 O1 0.11150 0.07970 0.13310 1.00000 0.01077 O2 0.36050 0.25740 0.30510 1.00000 0.01127 O3 0.35230 0.01260 0.00070 1.00000 0.00874