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: Me-8 ; _database_code_amcsd 0006348 _chemical_compound_source 'Victoria, Australia' _chemical_formula_sum 'Ca.708 Na.173 Fe.235 Mg.696 Mn.002 Al.301 Ti.037 Cr.001 Si1.847 O6' _cell_length_a 9.705 _cell_length_b 8.862 _cell_length_c 5.273 _cell_angle_alpha 90 _cell_angle_beta 106.40 _cell_angle_gamma 90 _cell_volume 435.057 _exptl_crystal_density_diffrn 3.364 _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 0.29960 0.25000 0.70800 0.01305 NaM2 0.00000 0.29960 0.25000 0.17300 0.01305 FeM2 0.00000 0.29960 0.25000 0.10000 0.01305 MgM2 0.00000 0.29960 0.25000 0.01700 0.01305 MnM2 0.00000 0.29960 0.25000 0.00200 0.01305 AlM1 0.00000 0.90600 0.25000 0.14800 0.00684 FeM1 0.00000 0.90600 0.25000 0.13500 0.00684 MgM1 0.00000 0.90600 0.25000 0.67900 0.00684 TiM1 0.00000 0.90600 0.25000 0.03700 0.00684 CrM1 0.00000 0.90600 0.25000 0.00100 0.00684 SiT 0.28820 0.09270 0.23060 0.92350 0.00798 AlT 0.28820 0.09270 0.23060 0.07650 0.00798 O1 0.11430 0.08550 0.13900 1.00000 0.01077 O2 0.36260 0.25290 0.31950 1.00000 0.01355 O3 0.35180 0.01740 -0.00260 1.00000 0.01102