data_global _chemical_name_mineral 'Orthopyroxene' loop_ _publ_author_name 'Domeneghetti M C' 'Tazzoli V' 'Ballaran T B' 'Molin G M' _journal_name_full 'American Mineralogist' _journal_volume 81 _journal_year 1996 _journal_page_first 842 _journal_page_last 846 _publ_section_title ; Orthopyroxene from the Serra de Mage meteorite: A structure-refinement procedure for a Pbca phase coexisting with a C2/c exsolved phase Sample Opx SDM N.7, heated ; _database_code_amcsd 0001806 _chemical_formula_sum 'Si1.986 Al.028 O6 Mg1.128 Fe.801 Mn.026 Cr.004 Ti.005 Ca.036' _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 3.553 _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 0.22838 0.65955 0.55140 0.99300 AlA 0.22838 0.65955 0.55140 0.01400 SiB 0.47386 0.33637 0.79460 0.99300 AlB 0.47386 0.33637 0.79460 0.01400 O1A 0.31602 0.83870 0.04120 1.00000 O1B 0.56216 0.33790 0.79510 1.00000 O2A 0.31132 0.49960 0.05170 1.00000 O2B 0.43368 0.48400 0.69510 1.00000 O3A 0.19772 0.76980 0.32460 1.00000 O3B 0.44762 0.20120 0.59400 1.00000 Mg1 0.37563 0.65440 0.87260 0.76400 Fe1 0.37563 0.65440 0.87260 0.22000 Mn1 0.37563 0.65440 0.87260 0.00700 Cr1 0.37563 0.65440 0.87260 0.00400 Ti1 0.37563 0.65440 0.87260 0.00500 Mg2 0.37780 0.48378 0.36644 0.36400 Fe2 0.37780 0.48378 0.36644 0.58100 Mn2 0.37780 0.48378 0.36644 0.01900 Ca2 0.37780 0.48378 0.36644 0.03600 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 0.00510 0.00560 0.00410 -0.00070 -0.00080 0.00010 AlA 0.00510 0.00560 0.00410 -0.00070 -0.00080 0.00010 SiB 0.00500 0.00490 0.00430 0.00060 -0.00010 0.00040 AlB 0.00500 0.00490 0.00430 0.00060 -0.00010 0.00040 O1A 0.00640 0.00780 0.00630 0.00010 0.00010 -0.00010 O1B 0.00470 0.00870 0.00680 -0.00010 -0.00070 0.00030 O2A 0.00920 0.00760 0.00740 -0.00170 -0.00120 0.00200 O2B 0.00840 0.00900 0.00770 0.00110 -0.00070 0.00140 O3A 0.00770 0.01140 0.00740 -0.00040 -0.00120 0.00350 O3B 0.00840 0.01020 0.00750 -0.00090 -0.00100 -0.00300 Mg1 0.00690 0.00610 0.00520 -0.00020 -0.00090 0.00020 Fe1 0.00690 0.00610 0.00520 -0.00020 -0.00090 0.00020 Mn1 0.00690 0.00610 0.00520 -0.00020 -0.00090 0.00020 Cr1 0.00690 0.00610 0.00520 -0.00020 -0.00090 0.00020 Ti1 0.00690 0.00610 0.00520 -0.00020 -0.00090 0.00020 Mg2 0.00910 0.00960 0.00680 -0.00110 -0.00250 -0.00020 Fe2 0.00910 0.00960 0.00680 -0.00110 -0.00250 -0.00020 Mn2 0.00910 0.00960 0.00680 -0.00110 -0.00250 -0.00020 Ca2 0.00910 0.00960 0.00680 -0.00110 -0.00250 -0.00020