data_global _amcsd_formula_title 'F Fe H4 N O4 P' loop_ _publ_author_name 'Loiseau T' 'Calage Y' 'Lacorre P' 'Ferey G' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 111 _journal_year 1994 _journal_page_first 390 _journal_page_last 396 _publ_section_title ; NH4FePO4F: structural study and magnetic properties _cod_database_code 1000359 ; _database_code_amcsd 0013817 _chemical_formula_sum 'Fe P F O4 N H4' _cell_length_a 12.993 _cell_length_b 6.468 _cell_length_c 10.640 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 894.172 _exptl_crystal_density_diffrn 2.791 _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 Fe1 0.38680 0.49110 0.00070 Fe2 0.24710 0.25300 0.25080 P1 0.50150 0.32890 0.24980 P2 0.18410 0.49940 0.50350 F1 0.27480 0.47170 0.12980 F2 0.22790 0.03270 0.38010 O1 0.48670 0.47290 0.13550 O2 0.51680 0.46860 0.36590 O3 0.40370 0.20240 0.26940 O4 0.59640 0.18930 0.23040 O5 0.11640 0.30980 0.53200 O6 0.11660 0.69040 0.47560 O7 0.25380 0.54870 0.61630 O8 0.25520 0.45700 0.38890 N1 0.38970 0.78250 0.31310 N2 0.09960 0.67800 0.06460 H1 0.39300 0.91000 0.32700 H2 0.39000 0.76100 0.23500 H3 0.33500 0.73300 0.34400 H4 0.44100 0.72400 0.34600 H5 0.13200 0.67200 0.00000 H6 0.11700 0.58400 0.11000 H7 0.03900 0.66600 0.05000 H8 0.11000 0.78500 0.09900