data_global _chemical_name_mineral 'Diopside' loop_ _publ_author_name 'Prencipe M' 'Tribaudino M' 'Pavese A' 'Hoser A' 'Reehuis M' _journal_name_full 'The Canadian Mineralogist' _journal_volume 38 _journal_year 2000 _journal_page_first 183 _journal_page_last 189 _publ_section_title ; A single-crystal neutron-diffraction investigation of diopside at 10 K Note: T = 10 K ; _database_code_amcsd 0005645 _chemical_formula_sum 'Ca Mg Si2 O6' _cell_length_a 9.735 _cell_length_b 8.898 _cell_length_c 5.242 _cell_angle_alpha 90 _cell_angle_beta 105.72 _cell_angle_gamma 90 _cell_volume 437.089 _exptl_crystal_density_diffrn 3.291 _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_U_iso_or_equiv Ca2 0.00000 0.30200 0.25000 0.00329 Mg1 0.00000 0.90850 0.25000 0.00139 Si 0.28650 0.09360 0.22930 0.00101 O1 0.11550 0.08800 0.14250 0.00165 O2 0.36120 0.25040 0.31930 0.00228 O3 0.35100 0.01800 0.99460 0.00228