data_global _chemical_name_mineral 'Diopside' loop_ _publ_author_name 'Tribaudino M' 'Nestola F' 'Meneghini C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 43 _journal_year 2005 _journal_page_first 1411 _journal_page_last 1421 _publ_section_title ; Rietveld refinement of clinopyroxenes with intermediate Ca-content along the join diopside-enstatite Sample: Di70En30 ; _database_code_amcsd 0006052 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ca.7 Mg1.3 Si2 O6' _cell_length_a 9.7264 _cell_length_b 8.9133 _cell_length_c 5.2485 _cell_angle_alpha 90 _cell_angle_beta 106.742 _cell_angle_gamma 90 _cell_volume 435.728 _exptl_crystal_density_diffrn 3.229 _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 Ca2 0.00000 0.28850 0.25000 0.70000 0.01444 Mg2 0.00000 0.28850 0.25000 0.30000 0.01444 Mg1 0.00000 0.90530 0.25000 1.00000 0.00595 Si 0.28957 0.09409 0.23870 1.00000 0.00494 O1 0.11741 0.08969 0.14680 1.00000 0.00646 O2 0.36522 0.25009 0.33370 1.00000 0.00443 O3 0.35009 0.01811 0.00300 1.00000 0.00823