data_global _chemical_name_mineral 'Clinoenstatite' loop_ _publ_author_name 'Tribaudino M' 'Nestola F' _journal_name_full 'European Journal of Mineralogy' _journal_volume 14 _journal_year 2002 _journal_page_first 549 _journal_page_last 555 _publ_section_title ; Average and local structure in P2_1/c clinopyroxenes along the join diopside-enstatite (CaMgSi2O6-Mg2Si2O6) Sample: Di23En77 (non-split model) ; _database_code_amcsd 0006931 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ca.23 Mg1.77 Si2 O6' _cell_length_a 9.690 _cell_length_b 8.862 _cell_length_c 5.229 _cell_angle_alpha 90 _cell_angle_beta 108.31 _cell_angle_gamma 90 _cell_volume 426.295 _exptl_crystal_density_diffrn 3.185 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '-x,-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 CaM2 0.25460 0.02220 0.22850 0.23000 0.01722 MgM2 0.25460 0.02220 0.22850 0.77000 0.01722 MgM1 0.25050 0.65390 0.22840 1.00000 0.00785 SiTA 0.04150 0.34170 0.27820 1.00000 0.00735 SiTB 0.54840 0.83910 0.23480 1.00000 0.00849 O1A 0.86650 0.33960 0.17190 1.00000 0.00646 O2A 0.11830 0.50190 0.32150 1.00000 0.01013 O3A 0.10490 0.26790 0.58740 1.00000 0.01659 O1B 0.37270 0.83840 0.13130 1.00000 0.01001 O2B 0.62860 0.98830 0.37140 1.00000 0.01672 O3B 0.60480 0.70920 0.47600 1.00000 0.01418