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 0020254 _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 0.65444 0.87128 0.02800 0.00773 MgM1 0.37558 0.65444 0.87128 0.97200 0.00773 MgM2 0.37802 0.48350 0.36510 0.44500 0.01024 FeM2 0.37802 0.48350 0.36510 0.55500 0.01024 SiA 0.27155 0.34090 0.05139 1.00000 0.00701 SiB 0.47390 0.33682 0.79702 1.00000 0.00690 O1A 0.18346 0.33834 0.04160 1.00000 0.00840 O1B 0.56252 0.33758 0.79840 1.00000 0.00840 O2A 0.31115 0.50120 0.05030 1.00000 0.00990 O2B 0.43370 0.48491 0.69470 1.00000 0.01040 O3A 0.30263 0.22825 -0.17340 1.00000 0.01100 O3B 0.44724 0.19936 0.59760 1.00000 0.01070 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 0.00870 0.00760 0.00690 0.00003 -0.00068 0.00035 MgM1 0.00870 0.00760 0.00690 0.00003 -0.00068 0.00035 MgM2 0.01155 0.01054 0.00861 -0.00112 -0.00226 0.00008 FeM2 0.01155 0.01054 0.00861 -0.00112 -0.00226 0.00008 SiA 0.00711 0.00712 0.00680 -0.00052 0.00019 -0.00017 SiB 0.00692 0.00688 0.00690 0.00037 -0.00037 0.00016 O1A 0.00710 0.00930 0.00880 -0.00020 0.00020 -0.00040 O1B 0.00730 0.00890 0.00900 0.00040 -0.00040 -0.00010 O2A 0.01040 0.00940 0.00990 -0.00230 -0.00110 0.00060 O2B 0.01150 0.01020 0.00950 0.00230 -0.00070 0.00160 O3A 0.00990 0.01360 0.00950 0.00050 0.00020 -0.00370 O3B 0.00970 0.01190 0.01050 -0.00110 -0.00020 -0.00310