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 = 1050 C ; _database_code_amcsd 0009064 _chemical_formula_sum 'Mg1.82 Fe.15 Si1.97 Al.03 O6' _cell_length_a 18.4197 _cell_length_b 8.9449 _cell_length_c 5.2609 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 866.798 _exptl_crystal_density_diffrn 3.138 _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 0.38060 0.65080 0.88440 0.92400 0.03678 FeM1 0.38060 0.65080 0.88440 0.06600 0.03678 MgM2 0.37360 0.48510 0.36670 0.89600 0.04140 FeM2 0.37360 0.48510 0.36670 0.08400 0.04140 SiA 0.27070 0.34700 0.06160 1.00000 0.01394 SiB 0.47460 0.33910 0.77680 0.97000 0.01394 AlB 0.47460 0.33910 0.77680 0.03000 0.01394 O1A 0.18470 0.34190 0.04840 1.00000 0.01583 O1B 0.56230 0.33990 0.78840 1.00000 0.01583 O2A 0.31050 0.50520 0.04530 1.00000 0.01583 O2B 0.43160 0.49260 0.70200 1.00000 0.01583 O3A 0.30240 0.23430 -0.16970 1.00000 0.01583 O3B 0.45010 0.20470 0.58130 1.00000 0.01583