data_global _amcsd_formula_title 'K2FeSn(PO4)3' loop_ _publ_author_name 'Zatovsky I V' 'Yatskin M M' 'Baumer V N' 'Slobodyanik N S' 'Shishkin O V' _journal_name_full 'Acta Crystallographica, Section E' _journal_volume 63 _journal_year 2007 _journal_page_first i199 _journal_page_last i199 _publ_section_title ; Langbeinite-related K2FeSn(PO4)3 from single-crystal data ; _database_code_amcsd 0010480 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'K2 (Fe Sn) P3 O12' _cell_length_a 9.91473 _cell_length_b 9.91473 _cell_length_c 9.91473 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 974.636 _exptl_crystal_density_diffrn 3.664 _symmetry_space_group_name_H-M 'P 21 3' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-z,-x,1/2+y' '-z,1/2+x,1/2-y' '1/2+z,1/2-x,-y' 'z,x,y' '1/2+y,1/2-z,-x' '1/2-y,-z,1/2+x' '-y,1/2+z,1/2-x' 'y,z,x' '-x,1/2+y,1/2-z' '1/2+x,1/2-y,-z' '1/2-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv K1 0.70742 0.70742 0.70742 1.00000 0.02780 K2 0.93262 0.93262 0.93262 1.00000 0.02200 Fe1 0.14686 0.14686 0.14686 0.44640 0.00732 Sn1 0.14686 0.14686 0.14686 0.55360 0.00732 Fe2 0.41421 0.41421 0.41421 0.55380 0.00737 Sn2 0.41421 0.41421 0.41421 0.44620 0.00737 P 0.46113 0.22920 0.12592 1.00000 0.00634 O1 0.31483 0.23890 0.07760 1.00000 0.01540 O2 0.55160 0.29730 0.02230 1.00000 0.01800 O3 0.50060 0.08280 0.15160 1.00000 0.01720 O4 0.48250 0.30570 0.25720 1.00000 0.02030 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 0.02780 0.02780 0.02780 -0.00010 -0.00010 -0.00010 K2 0.02200 0.02200 0.02200 -0.00260 -0.00260 -0.00260 Fe1 0.00732 0.00732 0.00732 -0.00009 -0.00009 -0.00009 Sn1 0.00737 0.00737 0.00737 -0.00050 -0.00050 -0.00050 Fe2 0.00732 0.00732 0.00732 -0.00009 -0.00009 -0.00009 Sn2 0.00737 0.00737 0.00737 -0.00050 -0.00050 -0.00050 P 0.00610 0.00660 0.00630 -0.00007 0.00116 -0.00006 O1 0.00680 0.02010 0.01940 -0.00310 -0.00240 0.00860 O2 0.01550 0.02110 0.01740 -0.00080 0.00910 0.00870 O3 0.02200 0.00780 0.02190 0.00630 0.00310 0.00320 O4 0.02400 0.02350 0.01350 -0.00300 0.00220 -0.01170