data_global _amcsd_formula_title 'Ba2CoSi2O7' loop_ _publ_author_name 'El Bali B' 'Zavalij P Y' _journal_name_full 'Acta Crystallographica, Section E' _journal_volume 59 _journal_year 2003 _journal_page_first i59 _journal_page_last i61 _publ_section_title ; Tetragonal form of barium cobalt disilicate, Ba2CoSi2O7 ; _database_code_amcsd 0010406 _chemical_formula_sum 'Ba2 Co Si2 O7' _cell_length_a 8.1709 _cell_length_b 8.1709 _cell_length_c 5.3374 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 356.344 _exptl_crystal_density_diffrn 4.676 _symmetry_space_group_name_H-M 'P -4 21 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-y,1/2-x,z' 'y,-x,-z' '1/2-x,1/2+y,-z' '-x,-y,z' '1/2+y,1/2+x,z' '-y,x,-z' '1/2+x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ba 0.33427 0.16573 0.00875 0.01252 Co 0.00000 0.00000 0.50000 0.00870 Si 0.63650 0.13650 0.54260 0.00600 O1 0.50000 0.00000 0.64210 0.00900 O2 0.80560 0.07800 0.68060 0.00940 O3 0.63930 0.13930 0.24450 0.01300 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 Ba 0.01256 0.01256 0.01240 0.00251 0.00097 -0.00097 Co 0.00680 0.00680 0.01260 0.00000 0.00000 0.00000 Si 0.00600 0.00600 0.00600 -0.00120 0.00060 0.00060 O1 0.01300 0.01300 0.00100 -0.00600 0.00000 0.00000 O2 0.00600 0.01100 0.01100 0.00160 0.00210 -0.00170 O3 0.01700 0.01700 0.00600 -0.00600 0.00170 0.00170