data_global _amcsd_formula_title 'As6 In4 K4' loop_ _publ_author_name 'Birdwishtell T' 'Klein C' 'Jeffries T' 'Stevens E' 'O'Connor C' _journal_name_full 'Journal of Materials Chemistry' _journal_volume 1 _journal_year 1991 _journal_page_first 555 _journal_page_last 558 _publ_section_title ; Synthesis and crystal structures of the layered I-III-V Zintl phases, K4In4X6, where X=As, Sb _cod_database_code 1008525 ; _database_code_amcsd 0016418 _chemical_formula_sum 'In2 As3 K2' _cell_length_a 14.323 _cell_length_b 7.106 _cell_length_c 15.795 _cell_angle_alpha 90 _cell_angle_beta 90.30 _cell_angle_gamma 90 _cell_volume 1607.581 _exptl_crystal_density_diffrn 4.401 _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 In1 0.31768 0.23019 0.16791 In2 0.09180 0.21490 0.23024 In3 0.81629 0.24642 0.32393 In4 0.58959 0.24875 0.25827 As1 0.97071 0.04180 0.32857 As2 0.47828 0.04480 0.15804 As3 0.24871 0.20540 0.32289 As4 0.33354 0.57100 0.10800 As5 0.16319 0.06060 0.09104 As6 0.74634 0.35500 0.17277 K1 0.14180 0.45960 -0.00840 K2 0.08340 0.54700 0.39400 K3 0.34400 0.56360 0.47670 K4 0.56240 0.58260 0.08960 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 In1 0.00820 0.00710 0.00380 0.00010 0.00130 0.00030 In2 0.00740 0.00770 0.00410 -0.00010 0.00160 -0.00030 In3 0.00860 0.00730 0.00400 0.00010 0.00150 0.00010 In4 0.00910 0.00790 0.00380 -0.00080 0.00070 0.00070 As1 0.00860 0.00820 0.00380 -0.00050 0.00190 0.00010 As2 0.00810 0.00890 0.00350 -0.00050 0.00130 -0.00020 As3 0.00930 0.00800 0.00430 0.00050 0.00070 -0.00030 As4 0.00830 0.00730 0.00550 -0.00040 0.00100 0.00010 As5 0.00890 0.00730 0.00400 0.00040 0.00070 -0.00020 As6 0.01020 0.00820 0.00210 -0.00060 0.00120 -0.00040 K1 0.01430 0.01310 0.00410 0.00050 0.00220 -0.00020 K2 0.01540 0.01870 0.00640 0.00190 -0.00110 -0.00020 K3 0.01470 0.01420 0.00670 0.00010 0.00250 0.00030 K4 0.01200 0.02340 0.01460 0.00180 -0.00240 -0.00250