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 = 975 C ; _database_code_amcsd 0009067 _chemical_formula_sum 'Mg1.82 Fe.15 Si1.97 Al.03 O6' _cell_length_a 18.3995 _cell_length_b 8.9329 _cell_length_c 5.2519 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 863.207 _exptl_crystal_density_diffrn 3.151 _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 0.38030 0.65200 0.88210 0.92700 0.03589 FeM1 0.38030 0.65200 0.88210 0.06300 0.03589 MgM2 0.37430 0.48520 0.36170 0.89300 0.03947 FeM2 0.37430 0.48520 0.36170 0.08700 0.03947 SiA 0.27070 0.34720 0.05900 1.00000 0.01273 SiB 0.47440 0.33760 0.77910 0.97000 0.01273 AlB 0.47440 0.33760 0.77910 0.03000 0.01273 O1A 0.18490 0.34080 0.04710 1.00000 0.01450 O1B 0.56220 0.34090 0.78900 1.00000 0.01450 O2A 0.31040 0.50580 0.04460 1.00000 0.01450 O2B 0.43200 0.49160 0.70120 1.00000 0.01450 O3A 0.30220 0.23330 -0.17000 1.00000 0.01450 O3B 0.44940 0.20330 0.58350 1.00000 0.01450