data_global _chemical_name_mineral 'Enstatite' loop_ _publ_author_name 'Jacob D' 'Palatinus L' 'Cuvillier P' 'Leroux H' 'Domeneghetti C' 'Camara F' _journal_name_full 'American Mineralogist' _journal_volume 98 _journal_year 2013 _journal_page_first 1526 _journal_page_last 1534 _publ_section_title ; Ordering state in orthopyroxene as determined by precession electron diffraction ; _database_code_amcsd 0020252 _chemical_compound_source 'Wilson Terrane, North Victoria Land, Antarctica' _chemical_formula_sum '(Fe.292 Mg.709) Si O3' _cell_length_a 18.2810 _cell_length_b 8.8732 _cell_length_c 5.2070 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 844.633 _exptl_crystal_density_diffrn 3.447 _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 _atom_site_occupancy _atom_site_U_iso_or_equiv FeM1 0.37558 0.65446 0.87128 0.02900 0.00754 MgM1 0.37558 0.65446 0.87128 0.97100 0.00754 MgM2 0.37803 0.48345 0.36509 0.44600 0.00981 FeM2 0.37803 0.48345 0.36509 0.55400 0.00981 SiA 0.27154 0.34092 0.05148 1.00000 0.00664 SiB 0.47388 0.33679 0.79705 1.00000 0.00664 O1A 0.18346 0.33838 0.04147 1.00000 0.00799 O1B 0.56251 0.33764 0.79832 1.00000 0.00814 O2A 0.31114 0.50118 0.05038 1.00000 0.00948 O2B 0.43369 0.48497 0.69471 1.00000 0.00976 O3A 0.30269 0.22822 -0.17338 1.00000 0.01049 O3B 0.44727 0.19933 0.59741 1.00000 0.01011 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 FeM1 0.00830 0.00771 0.00660 -0.00008 -0.00062 0.00032 MgM1 0.00830 0.00771 0.00660 -0.00008 -0.00062 0.00032 MgM2 0.01094 0.01019 0.00829 -0.00110 -0.00206 0.00005 FeM2 0.01094 0.01019 0.00829 -0.00110 -0.00206 0.00005 SiA 0.00659 0.00693 0.00640 -0.00052 0.00020 -0.00010 SiB 0.00663 0.00670 0.00658 0.00035 -0.00044 0.00014 O1A 0.00650 0.00900 0.00850 -0.00012 0.00050 -0.00030 O1B 0.00690 0.00910 0.00850 0.00013 -0.00030 0.00010 O2A 0.01000 0.00860 0.00990 -0.00250 -0.00090 0.00060 O2B 0.01080 0.00930 0.00920 0.00220 -0.00070 0.00130 O3A 0.00920 0.01330 0.00900 0.00040 -0.00010 -0.00390 O3B 0.00940 0.01120 0.00970 -0.00120 0.00010 -0.00300