data_global _chemical_name_mineral 'Diopside' loop_ _publ_author_name 'Tribaudino M' 'Nestola F' 'Ohashi H' _journal_name_full 'European Journal of Mineralogy' _journal_volume 17 _journal_year 2005 _journal_page_first 297 _journal_page_last 304 _publ_section_title ; High temperature single crystal investigation in a clinopyroxene of composition (Na0.5Ca0.5)(Cr0.5Mg0.5)Si2O6 Sample: T = 25 C, 2-theta <= 50 Note: Sample is exactly intermediate between diopside and kosmochlor Note: a cell edge corrected ; _database_code_amcsd 0007094 _chemical_formula_sum '(Na.5 Ca.5) (Cr.5 Mg.5) Si2 O6' _cell_length_a 9.656 _cell_length_b 8.833 _cell_length_c 5.262 _cell_angle_alpha 90 _cell_angle_beta 106.5281 _cell_angle_gamma 90 _cell_volume 430.259 _exptl_crystal_density_diffrn 3.425 _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 NaM2 0.00000 0.30150 0.25000 0.50000 0.01370 CaM2 0.00000 0.30150 0.25000 0.50000 0.01370 CrM1 0.00000 0.90650 0.25000 0.50000 0.00650 MgM1 0.00000 0.90650 0.25000 0.50000 0.00650 Si 0.28890 0.09240 0.23010 1.00000 0.00700 O1 0.11410 0.08180 0.13830 1.00000 0.00930 O2 0.36020 0.25420 0.31020 1.00000 0.01080 O3 0.35200 0.01380 0.00060 1.00000 0.00820 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 NaM2 0.01730 0.01100 0.01100 0.00000 0.00070 0.00000 CaM2 0.01730 0.01100 0.01100 0.00000 0.00070 0.00000 CrM1 0.00600 0.00770 0.00560 0.00000 0.00130 0.00000 MgM1 0.00600 0.00770 0.00560 0.00000 0.00130 0.00000 Si 0.00600 0.00870 0.00650 -0.00020 0.00230 -0.00070 O1 0.00600 0.01200 0.01100 0.00100 0.00300 0.00000 O2 0.01400 0.01100 0.00800 -0.00300 0.00400 -0.00100 O3 0.00700 0.00700 0.00800 0.00000 0.00300 -0.00200