data_global _amcsd_formula_title 'KNb5O13' loop_ _publ_author_name 'Kwak J' 'Yun H' 'Chae H K' _journal_name_full 'Acta Crystallographica, Section E' _journal_volume 61 _journal_year 2005 _journal_page_first i132 _journal_page_last i134 _publ_section_title ; A new potassium niobate, KNb5O13 ; _database_code_amcsd 0010449 _chemical_formula_sum 'K Nb5 O13' _cell_length_a 5.672 _cell_length_b 10.737 _cell_length_c 16.742 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1019.592 _exptl_crystal_density_diffrn 4.636 _symmetry_space_group_name_H-M 'P b c m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '-x,1/2+y,z' 'x,1/2-y,-z' 'x,y,1/2-z' '-x,-y,1/2+z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv K 0.78710 0.32683 0.25000 0.02600 Nb1 0.16752 0.43808 0.07672 0.00794 Nb2 0.33738 0.13515 0.13680 0.00924 Nb3 0.67240 0.25000 0.00000 0.00699 O1 0.09150 0.01710 0.13820 0.01020 O2 0.12650 0.28210 0.12599 0.00980 O3 0.12930 0.60590 0.00428 0.00760 O4 0.36120 0.12390 0.01261 0.00780 O5 0.59200 0.00420 0.13687 0.01050 O6 0.59690 0.25320 0.11116 0.00830 O7 0.36830 0.15670 0.25000 0.01180 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 K 0.03070 0.03530 0.01200 -0.01630 0.00000 0.00000 Nb1 0.00806 0.00846 0.00730 0.00056 -0.00037 -0.00001 Nb2 0.00973 0.00986 0.00812 -0.00192 0.00076 0.00050 Nb3 0.00627 0.00682 0.00789 0.00000 0.00000 0.00135 O1 0.00950 0.01020 0.01080 -0.00220 -0.00120 0.00010 O2 0.00930 0.00880 0.01130 -0.00050 0.00210 0.00100 O3 0.00650 0.00660 0.00960 -0.00040 -0.00130 0.00020 O4 0.00810 0.00840 0.00700 -0.00070 -0.00020 -0.00030 O5 0.01180 0.00950 0.01000 0.00240 0.00060 -0.00020 O6 0.00880 0.00910 0.00700 -0.00190 -0.00040 -0.00150 O7 0.01210 0.01410 0.00930 0.00020 0.00000 0.00000