data_global _chemical_name_mineral 'Diopside' loop_ _publ_author_name 'Gordon W A' 'Peacor D R' 'Brown P E' 'Essene E J' 'Allard L F' _journal_name_full 'American Mineralogist' _journal_volume 66 _journal_year 1981 _journal_page_first 127 _journal_page_last 141 _publ_section_title ; Exsolution relationships in a clinopyroxene of average composition Ca0.43Mn0.69Mg0.82Si2O6: X-ray diffraction and analytical electron microscopy ; _database_code_amcsd 0000805 _chemical_formula_sum 'Mg.94 Mn.19 Ca.87 Si2 O6' _cell_length_a 9.76 _cell_length_b 8.93 _cell_length_c 5.27 _cell_angle_alpha 90 _cell_angle_beta 106.44 _cell_angle_gamma 90 _cell_volume 440.538 _exptl_crystal_density_diffrn 3.322 _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 Mg1 0.00000 0.09290 0.75000 0.94000 Mn1 0.00000 0.09290 0.75000 0.06000 Ca2 0.00000 0.70720 0.75000 0.87000 Mn2 0.00000 0.70720 0.75000 0.13000 Si 0.21140 0.40750 0.76350 1.00000 O1 0.38290 0.41210 0.85570 1.00000 O2 0.13580 0.25100 0.67150 1.00000 O3 0.14890 0.48120 0.99940 1.00000 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 Mg1 0.00577 0.00444 0.00802 0.00000 0.00144 0.00000 Mn1 0.00577 0.00444 0.00802 0.00000 0.00144 0.00000 Ca2 0.01243 0.02060 0.01113 0.00000 0.00072 0.00000 Mn2 0.01243 0.02060 0.01113 0.00000 0.00072 0.00000 Si 0.00799 0.00970 0.01230 -0.00085 0.00288 -0.00091 O1 0.00799 0.01535 0.01450 0.00000 0.00264 -0.00091 O2 0.01376 0.01131 0.02123 -0.00042 0.00647 -0.00091 O3 0.00932 0.01858 0.01035 -0.00169 0.00168 -0.00366