data_global _chemical_name_mineral 'Spinelloid' loop_ _publ_author_name 'Woodland A B' 'Angel R J' 'Koch M' _journal_name_full 'European Journal of Mineralogy' _journal_volume 24 _journal_year 2012 _journal_page_first 657 _journal_page_last 668 _publ_section_title ; Structural systematics of spinel and spinelloid phases in the system MFe2O4-M2SiO4 with M = Fe2+ and Mg Sample: 4f8b1195, Spinelloid-II ; _database_code_amcsd 0019351 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Mg.09 Fe2.48 Si.43 O4' _cell_length_a 5.85060 _cell_length_b 17.9793 _cell_length_c 8.3779 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 881.269 _exptl_crystal_density_diffrn 4.901 _symmetry_space_group_name_H-M 'I m m a' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' 'x,1/2-y,z' '1/2+x,-y,1/2+z' '-x,1/2+y,-z' '1/2-x,+y,1/2-z' '-x,y,z' '1/2-x,1/2+y,1/2+z' 'x,-y,-z' '1/2+x,1/2-y,1/2-z' 'x,1/2+y,-z' '1/2+x,+y,1/2-z' '-x,1/2-y,z' '1/2-x,-y,1/2+z' '-x,-y,-z' '1/2-x,1/2-y,1/2-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 0.25000 0.25000 0.75000 0.04610 0.00697 FeM1 0.25000 0.25000 0.75000 0.95390 0.00697 MgM2 0.25000 0.08428 0.75000 0.02000 0.00826 FeM2 0.25000 0.08428 0.75000 0.98000 0.00826 MgM3 0.00000 0.16667 0.02921 0.08400 0.00712 FeM3 0.00000 0.16667 0.02921 0.91600 0.00712 MgM4 0.00000 0.00000 0.00000 0.01500 0.00820 FeM4 0.00000 0.00000 0.00000 0.98500 0.00820 SiT1 0.00000 0.42079 0.38044 0.28560 0.00704 FeT1 0.00000 0.42079 0.38044 0.71440 0.00704 SiT2 0.00000 0.25000 0.38767 0.71870 0.00600 FeT2 0.00000 0.25000 0.38767 0.28130 0.00600 O1 0.00000 0.83193 0.22700 1.00000 0.00980 O2 0.00000 -0.00043 0.24900 1.00000 0.01440 O3 0.00000 0.17077 0.27670 1.00000 0.01860 O4 0.25880 0.25000 -0.00070 1.00000 0.01210 O5 0.24770 0.08137 -0.00320 1.00000 0.01210 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 MgM1 0.00910 0.00600 0.00590 0.00000 0.00070 0.00000 FeM1 0.00910 0.00600 0.00590 0.00000 0.00070 0.00000 MgM2 0.01130 0.00710 0.00640 0.00000 -0.00010 0.00000 FeM2 0.01130 0.00710 0.00640 0.00000 -0.00010 0.00000 MgM3 0.00790 0.00730 0.00610 0.00000 0.00000 -0.00009 FeM3 0.00790 0.00730 0.00610 0.00000 0.00000 -0.00009 MgM4 0.00870 0.00770 0.00830 0.00000 0.00000 0.00010 FeM4 0.00870 0.00770 0.00830 0.00000 0.00000 0.00010 SiT1 0.00730 0.00730 0.00650 0.00000 0.00000 0.00057 FeT1 0.00730 0.00730 0.00650 0.00000 0.00000 0.00057 SiT2 0.00590 0.00570 0.00640 0.00000 0.00000 0.00000 FeT2 0.00590 0.00570 0.00640 0.00000 0.00000 0.00000 O1 0.00960 0.01050 0.00930 0.00000 0.00000 0.00060 O2 0.01000 0.02120 0.01190 0.00000 0.00000 0.00630 O3 0.01120 0.03570 0.00910 0.00000 0.00000 0.00080 O4 0.01710 0.01210 0.00730 0.00000 0.00080 0.00000 O5 0.01720 0.01030 0.00880 0.00010 0.00330 0.00040