data_global _amcsd_formula_title 'F5 Fe2 H4 O2' loop_ _publ_author_name 'Laligant Y' 'Leblanc M' 'Pannetier J' 'Ferey G' _journal_name_full 'Journal of Physics C: Solid State Physics' _journal_volume 19 _journal_year 1986 _journal_page_first 1081 _journal_page_last 1095 _publ_section_title ; Ordered magnetic frustration: IV. The two magnetic structures of the inverse weberite Fe2 F5 (H2 O)2: an example of the thermal evolution of the frustration character _cod_database_code 1000406 ; _database_code_amcsd 0013175 _chemical_formula_sum 'Fe2 F5 O2 H4' _cell_length_a 7.470 _cell_length_b 10.930 _cell_length_c 6.603 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 539.116 _exptl_crystal_density_diffrn 2.990 _symmetry_space_group_name_H-M 'I m m a' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' 'x,1/2-y,z' '1/2+x,-y,1/2+z' '-x,1/2+y,-z' '1/2-x,+y,1/2-z' '-x,y,z' '1/2-x,1/2+y,1/2+z' 'x,-y,-z' '1/2+x,1/2-y,1/2-z' 'x,1/2+y,-z' '1/2+x,+y,1/2-z' '-x,1/2-y,z' '1/2-x,-y,1/2+z' '-x,-y,-z' '1/2-x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Fe1 0.00000 0.00000 0.00000 Fe2 0.25000 0.25000 0.25000 F1 0.20290 0.12520 0.05070 F2 0.00000 0.25000 0.33470 O1 0.50000 0.56530 0.19740 H1 0.39330 0.58710 0.12070