data_global _chemical_name_mineral 'Diopside' loop_ _publ_author_name 'Liang J' 'Hawthorne F C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 32 _journal_year 1994 _journal_page_first 541 _journal_page_last 552 _publ_section_title ; Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: single crystal SC ; _database_code_amcsd 0005384 _chemical_formula_sum '(Mg.992 Fe.008) Ca (Si1.932 Al.068) O6' _cell_length_a 9.7429 _cell_length_b 8.9161 _cell_length_c 5.2557 _cell_angle_alpha 90 _cell_angle_beta 105.880 _cell_angle_gamma 90 _cell_volume 439.132 _exptl_crystal_density_diffrn 3.278 _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 MgM1 0.00000 0.90818 0.25000 0.99200 0.00481 FeM1 0.00000 0.90818 0.25000 0.00800 0.00481 CaM2 0.00000 0.30152 0.25000 1.00000 0.00849 SiT 0.28645 0.09328 0.22934 0.96600 0.00532 AlT 0.28645 0.09328 0.22934 0.03400 0.00532 O1 0.11533 0.08722 0.14135 1.00000 0.00709 O2 0.36136 0.25015 0.31912 1.00000 0.00887 O3 0.35085 0.01806 0.99519 1.00000 0.00785