data_global _chemical_name_mineral 'Diopside' loop_ _publ_author_name 'Tribaudino M' _journal_name_full 'European Journal of Mineralogy' _journal_volume 8 _journal_year 1996 _journal_page_first 273 _journal_page_last 279 _publ_section_title ; High-temperature crystal chemistry of C2/c clinopyroxenes along the join CaMgSi2O6-CaAl2SiO6 Sample: Di70CaTs30 at 500 C ; _database_code_amcsd 0006624 _chemical_formula_sum 'Ca Mg.7 Al.6 Si1.7 O6' _cell_length_a 9.717 _cell_length_b 8.886 _cell_length_c 5.288 _cell_angle_alpha 90 _cell_angle_beta 106.29 _cell_angle_gamma 90 _cell_volume 438.263 _exptl_crystal_density_diffrn 3.289 _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 0.30270 0.25000 1.00000 0.02052 MgM1 0.00000 0.90740 0.25000 0.70000 0.01241 AlM1 0.00000 0.90740 0.25000 0.30000 0.01241 AlT 0.28700 0.09350 0.22560 0.15000 0.00950 SiT 0.28700 0.09350 0.22560 0.85000 0.00950 O1 0.11260 0.08540 0.13610 1.00000 0.01596 O2 0.36190 0.25360 0.31590 1.00000 0.02052 O3 0.35150 0.01690 -0.00630 1.00000 0.01596 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 CaM2 0.02690 0.01550 0.01520 0.00000 -0.00030 0.00000 MgM1 0.01280 0.01320 0.01060 0.00000 0.00210 0.00000 AlM1 0.01280 0.01320 0.01060 0.00000 0.00210 0.00000 AlT 0.00850 0.01040 0.00930 -0.00030 0.00220 -0.00090 SiT 0.00850 0.01040 0.00930 -0.00030 0.00220 -0.00090 O1 0.00920 0.02190 0.01660 0.00090 0.00360 -0.00160 O2 0.02470 0.01630 0.01980 -0.00430 0.00480 -0.00160 O3 0.01220 0.02070 0.01470 -0.00020 0.00360 -0.00580