data_global _amcsd_formula_title 'Fe K O7 P2' loop_ _publ_author_name 'Riou D' 'Labbe P' 'Goreaud M' _journal_name_full 'European Journal of Solid State and Inorganic Chemistry' _journal_volume 25 _journal_year 1988 _journal_page_first 215 _journal_page_last 229 _publ_section_title ; The diphosphate K Fe P2 O7: Structure and possibilities for insertion in the host framework _cod_database_code 1001388 ; _database_code_amcsd 0012518 _chemical_formula_sum 'K Fe P2 O7' _cell_length_a 7.3523 _cell_length_b 9.9875 _cell_length_c 8.1872 _cell_angle_alpha 90 _cell_angle_beta 106.498 _cell_angle_gamma 90 _cell_volume 576.444 _exptl_crystal_density_diffrn 3.098 _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 0.17883 0.32022 0.05316 Fe1 0.23569 0.59970 0.76013 P1 0.44168 0.63697 0.19028 P2 0.13360 0.90456 0.82991 O1 0.34030 0.55950 0.31310 O2 0.08140 0.73400 0.25400 O3 0.63990 0.57950 0.23160 O4 0.14580 0.58930 0.51410 O5 0.32130 0.60750 0.01230 O6 0.00000 0.49340 0.22230 O7 0.45210 0.78390 0.24120 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 0.02000 0.02350 0.01890 0.00220 0.00260 0.00050 Fe1 0.00850 0.00642 0.00870 -0.00030 0.00230 0.00020 P1 0.00790 0.00700 0.00960 0.00030 0.00290 -0.00050 P2 0.00930 0.00730 0.00860 0.00100 0.00340 0.00010 O1 0.01130 0.01210 0.01810 0.00240 0.00600 0.00620 O2 0.01200 0.00680 0.01990 -0.00300 0.00440 0.00040 O3 0.01020 0.01090 0.02450 0.00260 0.00700 -0.00130 O4 0.02260 0.02580 0.00830 -0.01040 0.00520 -0.00210 O5 0.02120 0.01990 0.01030 0.00040 0.00020 -0.00340 O6 0.01360 0.00920 0.01180 -0.00390 0.00470 -0.00230 O7 0.01010 0.00690 0.02050 -0.00090 0.00440 -0.00290