data_global _chemical_name_mineral 'Enstatite' loop_ _publ_author_name 'Domeneghetti M C' 'Molin G M' 'Stimpfl M' 'Tribaudino M' _journal_name_full 'American Mineralogist' _journal_volume 80 _journal_year 1995 _journal_page_first 923 _journal_page_last 929 _publ_section_title ; Orthopyroxene from the Serra de Mage meteorite: Structure refinement and estimation of C2/c pyroxene contributions to apparent Pbca diffraction violations Sample: OPX SDM N.7, heated ; _database_code_amcsd 0001756 _chemical_formula_sum 'Si2 Fe.802 Mg1.155 Ca.043 O6' _cell_length_a 18.320 _cell_length_b 8.917 _cell_length_c 5.219 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 852.573 _exptl_crystal_density_diffrn 3.533 _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 Sia 0.27178 0.34044 0.05067 1.00000 Sib 0.47383 0.33640 0.79521 1.00000 Fe1 0.37558 0.65406 0.87255 0.23200 Mg1 0.37558 0.65406 0.87255 0.76800 Fe2 0.37776 0.48319 0.36681 0.57000 Mg2 0.37776 0.48319 0.36681 0.38700 Ca2 0.37776 0.48319 0.36681 0.04300 O1a 0.18414 0.33775 0.03730 1.00000 O1b 0.56235 0.33755 0.79219 1.00000 O2a 0.31098 0.49976 0.04844 1.00000 O2b 0.43401 0.48420 0.69768 1.00000 O3a 0.30222 0.23043 -0.17242 1.00000 O3b 0.44755 0.20209 0.59672 1.00000 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 Sia 0.00595 0.00403 0.00751 -0.00166 -0.00068 0.00014 Sib 0.00748 0.00532 0.00621 0.00174 0.00136 0.00047 Fe1 0.00748 0.00584 0.00600 -0.00025 0.00039 0.00019 Mg1 0.00748 0.00584 0.00600 -0.00025 0.00039 0.00019 Fe2 0.00969 0.01092 0.00606 -0.00083 -0.00160 -0.00014 Mg2 0.00969 0.01092 0.00606 -0.00083 -0.00160 -0.00014 Ca2 0.00969 0.01092 0.00606 -0.00083 -0.00160 -0.00014 O1a 0.00527 0.00790 0.00655 -0.00066 -0.00044 0.00212 O1b 0.00357 0.01128 0.00620 0.00091 -0.00044 0.00238 O2a 0.00646 0.01055 0.00908 -0.00298 -0.00218 0.00125 O2b 0.00918 0.01374 0.00840 0.00166 -0.00010 0.00047 O3a 0.01020 0.01208 0.00868 -0.00314 0.00305 -0.00408 O3b 0.01139 0.01055 0.00806 0.00041 -0.00010 -0.00644