data_global _chemical_name_mineral 'Diopside' loop_ _publ_author_name 'Mottana A' 'Rossi G' 'Kracher A' 'Kurat G' _journal_name_full 'Tschermaks Mineralogische und Petrographische Mitteilungen' _journal_volume 26 _journal_year 1979 _journal_page_first 187 _journal_page_last 201 _publ_section_title ; Violan revisited: Mn-bearing Omphacite and Diopside ; _database_code_amcsd 0015675 _chemical_compound_source 'manganese deposit of Praborna, St Marcel, Aosta Valley, Italy' _chemical_formula_sum '(Ca.94 Na.06) (Mg.964 Fe.036) Si2 O6' _cell_length_a 9.726 _cell_length_b 8.907 _cell_length_c 5.256 _cell_angle_alpha 90 _cell_angle_beta 106.1 _cell_angle_gamma 90 _cell_volume 437.466 _exptl_crystal_density_diffrn 3.290 _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 0.30167 0.25000 0.94000 0.00811 Na2 0.00000 0.30167 0.25000 0.06000 0.00811 Mg1 0.00000 0.90741 0.25000 0.96400 0.00481 Fe1 0.00000 0.90741 0.25000 0.03600 0.00481 Si 0.28653 0.09317 0.22916 1.00000 0.00380 O1 0.11503 0.08612 0.14033 1.00000 0.00697 O2 0.36063 0.25081 0.31585 1.00000 0.00798 O3 0.35074 0.01689 -0.00419 1.00000 0.00671 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 Ca2 0.00867 0.00792 0.00661 0.00000 0.00033 0.00000 Na2 0.00867 0.00792 0.00661 0.00000 0.00033 0.00000 Mg1 0.00305 0.00727 0.00407 0.00000 0.00108 0.00000 Fe1 0.00305 0.00727 0.00407 0.00000 0.00108 0.00000 Si 0.00248 0.00595 0.00355 -0.00021 0.00172 -0.00032 O1 0.00296 0.01097 0.00747 0.00072 0.00227 -0.00039 O2 0.00849 0.01153 0.00722 -0.00181 0.00222 -0.00036 O3 0.00456 0.01005 0.00605 0.00025 0.00213 -0.00191