data_global _chemical_name_mineral 'Flinteite' loop_ _publ_author_name 'Kusz J' 'Kucharczyk D' _journal_name_full 'Applied Crystallography: Proceedings of the XVI Conference' _journal_volume 16 _journal_year 1994 _journal_page_first 268 _journal_page_last 272 _publ_section_title ; The comparative study of the commensurate structure of K2ZnC14 ; _database_code_amcsd 0020736 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'K2 Zn Cl4' _cell_length_a 26.751 _cell_length_b 12.393 _cell_length_c 7.247 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2402.562 _exptl_crystal_density_diffrn 2.367 _symmetry_space_group_name_H-M 'P n a 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,1/2+z' '-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv K11 0.04400 0.08430 0.78720 0.07000 K21 0.28050 0.08400 0.76580 0.07400 K31 0.70950 0.08210 0.72620 0.05400 K12 0.33220 0.68520 0.72190 0.04100 K22 0.66610 0.68520 0.71800 0.04800 K32 0.99840 0.68950 0.79010 0.03300 Zn1 0.07210 0.41900 0.75000 0.02900 Zn2 0.40530 0.41710 0.77820 0.02700 Zn3 0.74010 0.41900 0.73650 0.02900 Cl11 -0.00860 0.44200 0.67710 0.04300 Cl21 0.32300 0.43780 0.81160 0.06500 Cl31 0.65970 0.43610 0.80410 0.06200 Cl12 0.11710 0.57580 0.81640 0.04800 Cl22 0.44370 0.57810 0.81240 0.07600 Cl32 0.78020 0.57490 0.66680 0.04500 Cl13 0.08480 0.30410 -0.01820 0.05400 Cl23 0.43510 0.31050 0.00070 0.07000 Cl33 0.77750 0.36180 0.00430 0.05000 Cl14 0.11010 0.35560 0.49310 0.04800 Cl24 0.43050 0.34680 0.51370 0.08100 Cl34 0.75590 0.29270 0.51890 0.04500 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 K11 0.03900 0.07900 0.10100 0.00400 0.01200 0.00000 K21 0.02600 0.09200 0.09500 0.00500 0.02700 0.01100 K31 0.03300 0.06900 0.06000 -0.01500 0.00300 0.00600 K12 0.03700 0.03400 0.05100 -0.00700 0.00000 0.00400 K22 0.03600 0.04800 0.05900 -0.00300 -0.00600 0.00900 K32 0.02200 0.02100 0.04600 0.00500 -0.00300 0.00700 Zn1 0.02400 0.02100 0.03300 0.00100 0.00200 -0.01200 Zn2 0.02400 0.02500 0.03100 -0.00100 0.00300 -0.00800 Zn3 0.02300 0.02200 0.03100 -0.00100 0.00200 -0.00900 Cl11 0.03300 0.06100 0.03400 0.00700 -0.00500 0.01800 Cl21 0.01400 0.05700 0.12500 -0.00100 0.00200 0.02000 Cl31 0.02100 0.05200 0.11300 -0.00300 0.01300 0.02100 Cl12 0.03500 0.02900 0.08000 -0.00700 0.00100 0.00300 Cl22 0.03700 0.02700 0.16500 -0.02200 -0.01500 -0.00300 Cl32 0.03800 0.04000 0.05700 -0.00900 -0.00700 -0.00700 Cl13 0.05500 0.06800 0.04000 0.02400 0.00900 0.01900 Cl23 0.05000 0.11200 0.07800 0.03000 0.00400 0.04800 Cl33 0.05600 0.05000 0.03300 0.00500 -0.00500 0.00900 Cl14 0.02600 0.07200 0.03600 0.00900 0.00700 -0.01600 Cl24 0.08600 0.11300 0.04500 0.05000 -0.00200 -0.02800 Cl34 0.06200 0.03600 0.03800 0.00500 0.00200 -0.00900