data_1001230
_chemical_name_systematic          'DILITHIUM TRIIRON(III) ANTIMONY(V) OXIDE'
_chemical_formula_structural       'LI2 FE3 SB O8'
_chemical_formula_sum              'Fe3 Li2 O8 Sb'
_publ_section_title
;
Hexagonal-spinel transitions in antimonates Li~2~ Cr(~3-x~) M(III)~x~
Sb O~8~
;
loop_
_publ_author_name
  'Tarte, P'
  'Cahay, R'
  'Preudhomme, J'
  'Hervieu, M'
  'Choisnet, J'
  'Raveau, B'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    44
_journal_year                      1982
_journal_page_first                282
_journal_page_last                 289
_cell_length_a                     5.923(2)
_cell_length_b                     5.923(2)
_cell_length_c                     9.641(5)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       292.9
_cell_formula_units_Z              2
_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
  Li1+   1.000
  Fe3+   3.000
  Sb5+   5.000
  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
  Li1   Li1+   2 b 0.3333 0.6667 -0.072(20) 0.55  0 d
  Fe1   Fe3+   2 b 0.3333 0.6667 -0.072(20) 0.45  0 d
  Li2   Li1+   2 a 0. 0. 0.510(4) 0.67  0 d
  Fe2   Fe3+   2 a 0. 0. 0.510(4) 0.33  0 d
  Li3   Li1+   6 c 0.1697(2) -0.1697(2) 0.204(1) 0.26  0 d
  Fe3   Fe3+   6 c 0.1697(2) -0.1697(2) 0.204(1) 0.63  0 d
  Sb1   Sb5+   6 c 0.1697(2) -0.1697(2) 0.204(1) 0.11  0 d
  Sb2   Sb5+   2 b 0.3333 0.6667 0.4802(9) 0.67  0 d
  Fe4   Fe3+   2 b 0.3333 0.6667 0.4802(9) 0.33  0 d
  O1    O2-    2 a 0. 0. 0.304(4) 1.  0 d
  O2    O2-    2 b 0.3333 0.6667 0.114(2) 1.  0 d
  O3    O2-    6 c 0.481(1) -0.481(1) 0.344(4) 1.  0 d
  O4    O2-    6 c 0.180(4) -0.180(4) 0.581(3) 1.  0 d
_refine_ls_R_factor_all            0.091