data_global _chemical_name_mineral 'Diopside' loop_ _publ_author_name 'Salviulo G' 'Princivalle F' 'Demarchi G' 'Fabro C' _journal_name_full 'Physics and Chemistry of Minerals' _journal_volume 19 _journal_year 1992 _journal_page_first 213 _journal_page_last 219 _publ_section_title ; Effects of Ca-Mg substitution in C2/c pyroxene structure on natural clinopyroxenes from spinel peridotite nodules (Pico Cabugi, Brazil) Sample: PC105 ; _database_code_amcsd 0007729 _chemical_compound_source 'sample from Pico Cabugi, Brazil' _chemical_formula_sum 'Ca.712 Na.048 Mg1.007 Fe.11 Mn.003 Al.187 Ti.003 Cr.046 Si1.902 O6' _cell_length_a 9.712 _cell_length_b 8.878 _cell_length_c 5.262 _cell_angle_alpha 90 _cell_angle_beta 106.59 _cell_angle_gamma 90 _cell_volume 434.819 _exptl_crystal_density_diffrn 3.321 _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 0.29610 0.25000 0.71200 0.01710 NaM2 0.00000 0.29610 0.25000 0.04800 0.01710 MgM2 0.00000 0.29610 0.25000 0.18800 0.01710 FeM2 0.00000 0.29610 0.25000 0.04900 0.01710 MnM2 0.00000 0.29610 0.25000 0.00300 0.01710 FeM2* 0.00000 0.21920 0.25000 0.01800 0.01874 MgM1 0.00000 0.90720 0.25000 0.81900 0.01089 FeM1 0.00000 0.90720 0.25000 0.04300 0.01089 AlM1 0.00000 0.90720 0.25000 0.08900 0.01089 TiM1 0.00000 0.90720 0.25000 0.00300 0.01089 CrM1 0.00000 0.90720 0.25000 0.04600 0.01089 SiT 0.28890 0.09270 0.23420 0.95100 0.01203 AlT 0.28890 0.09270 0.23420 0.04900 0.01203 O1 0.11580 0.08710 0.14130 1.00000 0.01330 O2 0.36400 0.25050 0.32600 1.00000 0.01811 O3 0.35180 0.01920 -0.00080 1.00000 0.01608