data_global _amcsd_formula_title 'Fe4 Li4.66 O16 Sb2 Sn1.32' loop_ _publ_author_name 'Lacorre P' 'Hervieu M' 'Choisnet J' 'Raveau B' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 51 _journal_year 1984 _journal_page_first 44 _journal_page_last 52 _publ_section_title ; Oxydes M3 O4 a empilement hexagonal double type D.H.LiFeSnO4 (M = Li,Fe,Sb,Sn): Transitions reversibles ramsdellite - D.H.LiFeSnO4 _cod_database_code 1000196 ; _database_code_amcsd 0013519 _chemical_formula_sum 'Sb1.006 Sn.664 Fe2 Li2.33 O8' _cell_length_a 5.950 _cell_length_b 5.950 _cell_length_c 9.701 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 297.427 _exptl_crystal_density_diffrn 5.105 _symmetry_space_group_name_H-M 'P 63 m c' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,1/2+z' 'x-y,x,1/2+z' '-y,-x,z' '-y,x-y,z' 'x-y,-y,1/2+z' '-x,-y,1/2+z' 'x,x-y,z' '-x+y,-x,z' 'y,x,1/2+z' 'y,-x+y,1/2+z' '-x+y,y,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb1 0.33333 0.66667 0.49990 0.57230 Sn1 0.33333 0.66667 0.49990 0.37770 Fe1 0.33333 0.66667 0.49990 0.05000 Fe2 0.16920 -0.16920 0.22160 0.53000 Sb2 0.16920 -0.16920 0.22160 0.14460 Sn2 0.16920 -0.16920 0.22160 0.09540 Li1 0.16920 -0.16920 0.22160 0.23000 Li2 0.33333 0.66667 -0.07500 0.64000 Fe3 0.33333 0.66667 -0.07500 0.36000 Li3 0.00000 0.00000 0.51000 1.00000 O1 0.00000 0.00000 0.31460 1.00000 O2 0.33333 0.66667 0.12160 1.00000 O3 0.47840 -0.47840 0.36090 1.00000 O4 0.16070 -0.16070 0.60770 1.00000