data_global _amcsd_formula_title 'Co2SiO4' loop_ _publ_author_name 'Morimoto N' 'Tokonami M' 'Watanabe M' 'Koto K' _journal_name_full 'American Mineralogist' _journal_volume 59 _journal_year 1974 _journal_page_first 475 _journal_page_last 485 _publ_section_title ; Crystal structures of three polymorphs of Co2SiO4 wadsleyite ; _database_code_amcsd 402 _chemical_formula_sum 'Si Co2 O4' _cell_length_a 5.753 _cell_length_b 11.524 _cell_length_c 8.34 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_volume 552.922 _exptl_crystal_density_diffrn 5.044 _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 Si 0.0 0.1211 0.6169 Co1 0.0 0.0 0.0 Co2 0.0 0.25 -0.0286 Co3 0.25 0.1241 0.25 O1 0.0 0.25 0.2175 O2 0.0 0.25 0.7154 O3 0.0 -0.0141 0.2567 O4 0.2663 0.1227 -0.0083 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 Si 0.00486 0.00538 0.00317 0.0 0.0 -0.00049 Co1 0.00503 0.00336 0.0067 0.0 0.0 -0.00049 Co2 0.00838 0.00538 0.00493 0.0 0.0 0.0 Co3 0.0062 0.00538 0.0067 0.0 -0.00049 0.0 O1 0.00268 0.00942 0.00881 0.0 0.0 0.0 O2 0.00285 0.01211 0.00423 0.0 0.0 0.0 O3 0.00905 0.01144 0.00458 0.0 0.0 0.00097 O4 0.01224 0.00135 0.0074 0.00067 -0.00122 -0.00097