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-3 ; _database_code_amcsd 0006343 _chemical_compound_source 'Victoria, Australia' _chemical_formula_sum 'Ca.62 Na.136 Fe.27 Mg.721 Mn.005 Al.445 Ti.036 Cr.001 Si1.766 O6' _cell_length_a 9.690 _cell_length_b 8.837 _cell_length_c 5.276 _cell_angle_alpha 90 _cell_angle_beta 106.71 _cell_angle_gamma 90 _cell_volume 432.709 _exptl_crystal_density_diffrn 3.381 _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 0.29720 0.25000 0.62000 0.01406 NaM2 0.00000 0.29720 0.25000 0.13600 0.01406 FeM2 0.00000 0.29720 0.25000 0.14500 0.01406 MgM2 0.00000 0.29720 0.25000 0.09400 0.01406 MnM2 0.00000 0.29720 0.25000 0.00500 0.01406 AlM1 0.00000 0.90580 0.25000 0.21100 0.00557 FeM1 0.00000 0.90580 0.25000 0.12500 0.00557 MgM1 0.00000 0.90580 0.25000 0.62700 0.00557 TiM1 0.00000 0.90580 0.25000 0.03600 0.00557 CrM1 0.00000 0.90580 0.25000 0.00100 0.00557 SiT 0.28920 0.09260 0.23250 0.88300 0.00773 AlT 0.28920 0.09260 0.23250 0.11700 0.00773 O1 0.11400 0.08530 0.13870 1.00000 0.01051 O2 0.36380 0.25380 0.32220 1.00000 0.01444 O3 0.35230 0.01790 -0.00080 1.00000 0.01216