data_global _chemical_name_mineral 'Diopside' loop_ _publ_author_name 'Dal Negro A' 'Manoli S' 'Secco L' 'Piccirillo E M' _journal_name_full 'European Journal of Mineralogy' _journal_volume 1 _journal_year 1989 _journal_page_first 105 _journal_page_last 121 _publ_section_title ; Megacrystic clinopyroxenes from Victoria (Australia): Crystal chemical comparisons of pyroxenes from high and low pressure regimes Sample: Bu-13 ; _database_code_amcsd 0006353 _chemical_compound_source 'Victoria, Australia' _chemical_formula_sum 'Ca.661 Na.132 Fe.253 Mg.731 Mn.007 Al.342 Ti.045 Cr.003 Si1.826 O6' _cell_length_a 9.706 _cell_length_b 8.858 _cell_length_c 5.276 _cell_angle_alpha 90 _cell_angle_beta 106.58 _cell_angle_gamma 90 _cell_volume 434.748 _exptl_crystal_density_diffrn 3.371 _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 CaM2 0.00000 0.29780 0.25000 0.66100 0.01596 NaM2 0.00000 0.29780 0.25000 0.13200 0.01596 FeM2 0.00000 0.29780 0.25000 0.12500 0.01596 MgM2 0.00000 0.29780 0.25000 0.07500 0.01596 MnM2 0.00000 0.29780 0.25000 0.00700 0.01596 AlM1 0.00000 0.90620 0.25000 0.16800 0.00874 FeM1 0.00000 0.90620 0.25000 0.12800 0.00874 MgM1 0.00000 0.90620 0.25000 0.65600 0.00874 TiM1 0.00000 0.90620 0.25000 0.04500 0.00874 CrM1 0.00000 0.90620 0.25000 0.00300 0.00874 SiT 0.28880 0.09270 0.23210 0.91300 0.00937 AlT 0.28880 0.09270 0.23210 0.08700 0.00937 O1 0.11440 0.08590 0.13890 1.00000 0.01254 O2 0.36310 0.25290 0.32200 1.00000 0.01634 O3 0.35200 0.01810 -0.00150 1.00000 0.01381