data_global _amcsd_formula_title 'Fe Li O7 P2' loop_ _publ_author_name 'Riou D' 'Nguyen N' 'Benloucif R' 'Raveau B' _journal_name_full 'Materials Research Bulletin' _journal_volume 25 _journal_year 1990 _journal_page_first 1363 _journal_page_last 1369 _publ_section_title ; LiFeP2O7: Structure and magnetic properties _cod_database_code 1001451 ; _database_code_amcsd 0014354 _chemical_formula_sum 'Li Fe P2 O7' _cell_length_a 4.8229 _cell_length_b 8.0813 _cell_length_c 6.9419 _cell_angle_alpha 90 _cell_angle_beta 109.387 _cell_angle_gamma 90 _cell_volume 255.221 _exptl_crystal_density_diffrn 3.080 _symmetry_space_group_name_H-M 'P 1 21 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,1/2+y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Li1 0.80300 0.38400 0.81900 Fe1 0.21948 0.25000 0.23398 P1 0.79390 0.47040 0.41633 P2 0.60080 0.07093 0.98019 O1 0.40290 0.07220 0.10990 O2 0.81410 0.21560 0.01980 O3 0.13180 0.06160 0.38130 O4 0.06190 0.43020 0.36110 O5 0.24810 0.40560 0.01030 O6 0.39850 0.10160 0.74750 O7 0.60820 0.31970 0.41830