data_global _chemical_name_mineral 'Diopside' loop_ _publ_author_name 'Tribaudino M' 'Molin G M' 'Bruno E' _journal_name_full 'European Journal of Mineralogy' _journal_volume 6 _journal_year 1994 _journal_page_first 77 _journal_page_last 86 _publ_section_title ; Effect of Al on enstatite solubility in CMAS clinopyroxenes: 2 - Crystal chemical considerations Sample: Di65En20CaTs15 ; _database_code_amcsd 0006530 _chemical_formula_sum 'Ca.8 Mg1.03 Al.32 Si1.85 O6' _cell_length_a 9.700 _cell_length_b 8.861 _cell_length_c 5.258 _cell_angle_alpha 90 _cell_angle_beta 106.47 _cell_angle_gamma 90 _cell_volume 433.390 _exptl_crystal_density_diffrn 3.275 _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 0.29900 0.25000 0.80000 0.01507 MgM2 0.00000 0.29900 0.25000 0.20000 0.01507 MgM1 0.00000 0.90750 0.25000 0.83000 0.00785 AlM1 0.00000 0.90750 0.25000 0.17000 0.00785 AlT 0.28840 0.09320 0.23220 0.07500 0.00874 SiT 0.28840 0.09320 0.23220 0.92500 0.00874 O1 0.11480 0.08700 0.13980 1.00000 0.01115 O2 0.36370 0.25180 0.32530 1.00000 0.01482 O3 0.35170 0.01940 0.99680 1.00000 0.01292