data_global _amcsd_formula_title 'K2CO3' loop_ _publ_author_name 'Idemoto Y' 'Richardson J W' 'Koura N' 'Kohara S' 'Loong C K' _journal_name_full 'Journal of Physics and Chemistry of Solids' _journal_volume 59 _journal_year 1998 _journal_page_first 363 _journal_page_last 376 _publ_section_title ; Crystal structure of (LixK1-x)2CO3 (x = 0,0.43,0.5,0.62,1) by neutron powder diffraction analysis Sample: neutron powder diffraction refinement ; _database_code_amcsd 0013249 _chemical_formula_sum 'K2 C O3' _cell_length_a 5.63961 _cell_length_b 9.83912 _cell_length_c 6.87407 _cell_angle_alpha 90 _cell_angle_beta 98.703 _cell_angle_gamma 90 _cell_volume 377.042 _exptl_crystal_density_diffrn 2.435 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z K1 0.24180 0.08310 0.21480 K2 0.73910 0.26020 0.97200 C 0.24550 0.41740 0.24890 O1 0.73680 0.04300 0.20140 O2 0.06310 0.34880 0.27700 O3 0.41470 0.36090 0.17180 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 K1 0.01320 0.01340 0.04060 -0.00260 0.00900 -0.00040 K2 0.02930 0.02200 0.01820 0.00480 0.00550 0.00310 C 0.01160 0.01530 0.01600 -0.00040 0.00680 0.00030 O1 0.02400 0.01280 0.04050 0.00170 0.10900 0.00260 O2 0.01190 0.02140 0.04500 -0.00930 0.01370 -0.00440 O3 0.02740 0.02480 0.03670 0.00090 0.01590 -0.00770