data_global _chemical_name_mineral 'Enstatite' loop_ _publ_author_name 'Hawthorne F C' 'Ito J' _journal_name_full 'The Canadian Mineralogist' _journal_volume 15 _journal_year 1977 _journal_page_first 321 _journal_page_last 338 _publ_section_title ; Synthesis and crystal-structure refinement of transition-metal orthopyroxenes I: Orthoenstatite and (Mg, Mn, Co) orthopyroxene ; _database_code_amcsd 0005139 _chemical_formula_sum 'Si Mg O3' _cell_length_a 18.216 _cell_length_b 8.813 _cell_length_c 5.179 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 831.424 _exptl_crystal_density_diffrn 3.208 _symmetry_space_group_name_H-M 'P b c a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z SiA 0.27171 0.34150 0.05030 SiB 0.47356 0.33730 0.79820 MgM1 0.37580 0.65386 0.86600 MgM2 0.37682 0.48700 0.35870 O1A 0.18332 0.33990 0.03460 O2A 0.31100 0.50240 0.04340 O3A 0.30320 0.22260 -0.16780 O1B 0.56240 0.34020 0.79970 O2B 0.43280 0.48320 0.68900 O3B 0.44770 0.19500 0.60400 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 SiA 0.00622 0.00693 0.00342 -0.00041 -0.00010 -0.00012 SiB 0.00622 0.00681 0.00355 0.00041 -0.00019 0.00009 MgM1 0.00874 0.00822 0.00359 -0.00016 -0.00062 0.00016 MgM2 0.01093 0.01003 0.00576 -0.00057 -0.00215 0.00074 O1A 0.00605 0.01007 0.00444 -0.00008 0.00010 -0.00018 O2A 0.00992 0.00826 0.00683 -0.00244 -0.00067 0.00046 O3A 0.00891 0.01043 0.00440 0.00041 -0.00048 -0.00206 O1B 0.00706 0.00897 0.00527 -0.00065 0.00000 0.00023 O2B 0.00941 0.00881 0.00544 0.00187 -0.00076 0.00025 O3B 0.00874 0.00933 0.00425 -0.00024 0.00081 -0.00213