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: Fr-1 ; _database_code_amcsd 0006341 _chemical_compound_source 'Victoria, Australia' _chemical_formula_sum 'Ca.646 Na.143 Fe.271 Mg.69 Mn.003 Al.42 Ti.044 Si1.783 O6' _cell_length_a 9.695 _cell_length_b 8.841 _cell_length_c 5.277 _cell_angle_alpha 90 _cell_angle_beta 106.62 _cell_angle_gamma 90 _cell_volume 433.414 _exptl_crystal_density_diffrn 3.383 _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 0.29830 0.25000 0.64600 0.01393 NaM2 0.00000 0.29830 0.25000 0.14300 0.01393 FeM2 0.00000 0.29830 0.25000 0.14400 0.01393 MgM2 0.00000 0.29830 0.25000 0.06400 0.01393 MnM2 0.00000 0.29830 0.25000 0.00300 0.01393 AlM1 0.00000 0.90580 0.25000 0.20300 0.00570 FeM1 0.00000 0.90580 0.25000 0.12700 0.00570 MgM1 0.00000 0.90580 0.25000 0.62600 0.00570 TiM1 0.00000 0.90580 0.25000 0.04400 0.00570 SiT 0.28890 0.09270 0.23170 0.89150 0.00747 AlT 0.28890 0.09270 0.23170 0.10850 0.00747 O1 0.11410 0.08540 0.13840 1.00000 0.01051 O2 0.36340 0.25370 0.32100 1.00000 0.01381 O3 0.35230 0.01780 -0.00150 1.00000 0.01127