data_1000196 _chemical_name_systematic ; Lithium iron(III) antimony(V) tin(IV) oxide (4.66/4/2/1.32/16) - Low form ; _chemical_formula_structural 'Li4.66 Fe4 Sb2 Sn1.32 O16' _chemical_formula_sum 'Fe4 Li4.66 O16 Sb2 Sn1.32' _publ_section_title ; Oxydes M~3~ O~4~ a empilement hexagonal double type D.H. Li Fe Sn O~4~ (M = Li,Fe,Sb,Sn): Transitions reversibles ramsdellite - D.H. Li Fe Sn O~4~ ; loop_ _publ_author_name 'Lacorre, P' 'Hervieu, M' 'Choisnet, J' 'Raveau, B' _journal_name_full 'Journal of Solid State Chemistry' _journal_coden_ASTM JSSCBI _journal_volume 51 _journal_year 1984 _journal_page_first 44 _journal_page_last 52 _cell_length_a 5.950(2) _cell_length_b 5.950(2) _cell_length_c 9.701(4) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 297.4 _cell_formula_units_Z 1 _symmetry_space_group_name_H-M 'P 63 m c' _symmetry_Int_Tables_number 186 _symmetry_cell_setting hexagonal loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-y,x-y,z' 'y-x,-x,z' '-y,-x,z' 'y-x,y,z' 'x,x-y,z' '-x,-y,1/2+z' 'y,y-x,1/2+z' 'x-y,x,1/2+z' 'y,x,1/2+z' 'x-y,-y,1/2+z' '-x,y-x,1/2+z' loop_ _atom_type_symbol _atom_type_oxidation_number Sb5+ 5.000 Sn4+ 4.000 Fe3+ 3.000 Li1+ 1.000 O2- -2.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag Sb1 Sb5+ 2 b 0.3333 0.6667 0.4999(5) 0.5723 0 d Sn1 Sn4+ 2 b 0.3333 0.6667 0.4999(5) 0.3777 0 d Fe1 Fe3+ 2 b 0.3333 0.6667 0.4999(5) 0.05 0 d Fe2 Fe3+ 6 c 0.1692(4) -0.1692(4) 0.2216(6) 0.53 0 d Sb2 Sb5+ 6 c 0.1692(4) -0.1692(4) 0.2216(6) 0.1446 0 d Sn2 Sn4+ 6 c 0.1692(4) -0.1692(4) 0.2216(6) 0.0954 0 d Li1 Li1+ 6 c 0.1692(4) -0.1692(4) 0.2216(6) 0.23 0 d Li2 Li1+ 2 b 0.3333 0.6667 -0.075(2) 0.64 0 d Fe3 Fe3+ 2 b 0.3333 0.6667 -0.075(2) 0.36 0 d Li3 Li1+ 2 a 0. 0. 0.510(18) 1. 0 d O1 O2- 2 a 0. 0. 0.3146(26) 1. 0 d O2 O2- 2 b 0.3333 0.6667 0.1216(18) 1. 0 d O3 O2- 6 c 0.4784(7) -0.4784(7) 0.3609(22) 1. 0 d O4 O2- 6 c 0.1607(24) -0.1607(24) 0.6077(18) 1. 0 d _refine_ls_R_factor_all 0.04