data_global _chemical_name_mineral 'Wadsleyite' loop_ _publ_author_name 'Sawamoto H' 'Horiuchi H' _journal_name_full 'Physics and Chemistry of Minerals' _journal_volume 17 _journal_year 1990 _journal_page_first 293 _journal_page_last 300 _publ_section_title ; Beta (Mg0.9Fe0.1)2SiO4: single crystal structure, cation distribution, and properties of coordination polyhedra ; _database_code_amcsd 0007489 _chemical_formula_sum '(Mg1.8 Fe.2) Si O4' _cell_length_a 5.7107 _cell_length_b 11.4675 _cell_length_c 8.2778 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 542.092 _exptl_crystal_density_diffrn 3.602 _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 0.00000 0.00000 0.00000 0.89000 0.00709 FeM1 0.00000 0.00000 0.00000 0.11000 0.00709 MgM2 0.00000 0.25000 0.97070 0.95000 0.00735 FeM2 0.00000 0.25000 0.97070 0.05000 0.00735 MgM3 0.25000 0.12660 0.25000 0.88000 0.00722 FeM3 0.25000 0.12660 0.25000 0.12000 0.00722 SiT 0.00000 0.12020 0.61610 1.00000 0.00570 O1 0.00000 0.25000 0.21650 1.00000 0.00621 O2 0.00000 0.25000 0.71700 1.00000 0.00684 O3 0.00000 0.98890 0.25760 1.00000 0.00722 O4 0.26170 0.12300 0.99210 1.00000 0.01444 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 0.00578 0.00799 0.00764 0.00000 0.00000 0.00000 FeM1 0.00578 0.00799 0.00764 0.00000 0.00000 0.00000 MgM2 0.01024 0.00666 0.00521 0.00000 0.00000 0.00000 FeM2 0.01024 0.00666 0.00521 0.00000 0.00000 0.00000 MgM3 0.00545 0.00933 0.00798 0.00000 -0.00048 0.00000 FeM3 0.00545 0.00933 0.00798 0.00000 -0.00048 0.00000 SiT 0.00644 0.00533 0.00521 0.00000 0.00000 -0.00048 O1 0.01239 0.00466 0.00174 0.00000 0.00000 0.00000 O2 0.01437 0.00067 0.00555 0.00000 0.00000 0.00000 O3 0.00743 0.00600 0.00347 0.00000 0.00000 0.00240 O4 0.01157 0.00933 0.00382 0.01161 -0.00096 -0.00144