data_global _chemical_name_mineral 'Enstatite' loop_ _publ_author_name 'Gatta G D' 'Rinaldi R' 'Knight K S' 'Molin G' 'Artioli G' _journal_name_full 'Physics and Chemistry of Minerals' _journal_volume 34 _journal_year 2007 _journal_page_first 185 _journal_page_last 200 _publ_section_title ; High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1075 C ; _database_code_amcsd 0009063 _chemical_formula_sum 'Mg1.82 Fe.15 Si1.97 Al.03 O6' _cell_length_a 18.4244 _cell_length_b 8.9481 _cell_length_c 5.2639 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 867.824 _exptl_crystal_density_diffrn 3.134 _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 MgM1 0.38070 0.65190 0.88760 0.92400 0.03851 FeM1 0.38070 0.65190 0.88760 0.06600 0.03851 MgM2 0.37400 0.48480 0.36450 0.89600 0.04247 FeM2 0.37400 0.48480 0.36450 0.08400 0.04247 SiA 0.27120 0.34730 0.05990 1.00000 0.01460 SiB 0.47510 0.33850 0.77670 0.97000 0.01460 AlB 0.47510 0.33850 0.77670 0.03000 0.01460 O1A 0.18510 0.34030 0.04970 1.00000 0.01656 O1B 0.56260 0.34200 0.78690 1.00000 0.01656 O2A 0.31120 0.50460 0.04700 1.00000 0.01656 O2B 0.43210 0.49290 0.70240 1.00000 0.01656 O3A 0.30250 0.23440 -0.17020 1.00000 0.01656 O3B 0.44990 0.20540 0.58000 1.00000 0.01656