The structure described by Li2Fe3SbO8 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Sb(1)O6 octahedra, and corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. In the second Fe site, Fe(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Sb(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. Sb(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form SbO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Fe(2), and two equivalent Fe(1) atoms to form distorted OLiFe3 tetrahedra that share corners with three equivalent O(1)LiFe3 tetrahedra, corners with three equivalent O(2)LiFe2Sb trigonal pyramids, corners with six equivalent O(3)LiFe2Sb trigonal pyramids,  an edgeedge with one O(2)LiFe2Sb trigonal pyramid, and edges with two equivalent O(3)LiFe2Sb trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), two equivalent Fe(1), and one Sb(1) atom to form distorted OLiFe2Sb trigonal pyramids that share corners with three equivalent O(1)LiFe3 tetrahedra, corners with three equivalent O(2)LiFe2Sb trigonal pyramids, corners with six equivalent O(3)LiFe2Sb trigonal pyramids,  an edgeedge with one O(1)LiFe3 tetrahedra, and edges with two equivalent O(3)LiFe2Sb trigonal pyramids. In the third O site, O(3) is bonded to one Li(1), one Fe(1), one Fe(2), and one Sb(1) atom to form distorted OLiFe2Sb trigonal pyramids that share corners with three equivalent O(1)LiFe3 tetrahedra, corners with three equivalent O(2)LiFe2Sb trigonal pyramids, corners with six equivalent O(3)LiFe2Sb trigonal pyramids,  an edgeedge with one O(1)LiFe3 tetrahedra,  an edgeedge with one O(2)LiFe2Sb trigonal pyramid, and  an edgeedge with one O(3)LiFe2Sb trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Fe3SbO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.038
_cell_length_b   6.050
_cell_length_c   6.125
_cell_angle_alpha   119.534
_cell_angle_beta   119.530
_cell_angle_gamma   60.071
_symmetry_Int_Tables_number   1
_cell_volume   159.422
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe0  1  0.000  0.500  1.000  1.0
  Fe  Fe1  1  0.500  0.500  0.000  1.0
  Fe  Fe2  1  0.500  0.000  1.000  1.0
  Li  Li3  1  0.868  0.868  0.603  1.0
  Li  Li4  1  0.132  0.132  0.396  1.0
  O  O5  1  0.733  0.734  0.200  1.0
  O  O6  1  0.267  0.266  0.800  1.0
  O  O7  1  0.735  0.281  0.751  1.0
  O  O8  1  0.735  0.735  0.750  1.0
  O  O9  1  0.281  0.735  0.750  1.0
  O  O10  1  0.719  0.265  0.250  1.0
  O  O11  1  0.265  0.265  0.249  1.0
  O  O12  1  0.265  0.719  0.249  1.0
  Sb  Sb13  1  0.500  0.500  0.500  1.0
[/CIF]
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The structure described by Li2Fe3SbO8 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Sb(1)O6 octahedra, and corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. In the second Fe site, Fe(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Sb(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. Sb(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form SbO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Fe(2), and two equivalent Fe(1) atoms to form distorted OLiFe3 tetrahedra that share corners with three equivalent O(1)LiFe3 tetrahedra, corners with three equivalent O(2)LiFe2Sb trigonal pyramids, corners with six equivalent O(3)LiFe2Sb trigonal pyramids,  an edgeedge with one O(2)LiFe2Sb trigonal pyramid, and edges with two equivalent O(3)LiFe2Sb trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), two equivalent Fe(1), and one Sb(1) atom to form distorted OLiFe2Sb trigonal pyramids that share corners with three equivalent O(1)LiFe3 tetrahedra, corners with three equivalent O(2)LiFe2Sb trigonal pyramids, corners with six equivalent O(3)LiFe2Sb trigonal pyramids,  an edgeedge with one O(1)LiFe3 tetrahedra, and edges with two equivalent O(3)LiFe2Sb trigonal pyramids. In the third O site, O(3) is bonded to one Li(1), one Fe(1), one Fe(2), and one Sb(1) atom to form distorted OLiFe2Sb trigonal pyramids that share corners with three equivalent O(1)LiFe3 tetrahedra, corners with three equivalent O(2)LiFe2Sb trigonal pyramids, corners with six equivalent O(3)LiFe2Sb trigonal pyramids,  an edgeedge with one O(1)LiFe3 tetrahedra,  an edgeedge with one O(2)LiFe2Sb trigonal pyramid, and  an edgeedge with one O(3)LiFe2Sb trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Fe3SbO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.038
_cell_length_b   6.050
_cell_length_c   6.125
_cell_angle_alpha   119.534
_cell_angle_beta   119.530
_cell_angle_gamma   60.071
_symmetry_Int_Tables_number   1
_cell_volume   159.422
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe0  1  0.000  0.500  1.000  1.0
  Fe  Fe1  1  0.500  0.500  0.000  1.0
  Fe  Fe2  1  0.500  0.000  1.000  1.0
  Li  Li3  1  0.868  0.868  0.603  1.0
  Li  Li4  1  0.132  0.132  0.396  1.0
  O  O5  1  0.733  0.734  0.200  1.0
  O  O6  1  0.267  0.266  0.800  1.0
  O  O7  1  0.735  0.281  0.751  1.0
  O  O8  1  0.735  0.735  0.750  1.0
  O  O9  1  0.281  0.735  0.750  1.0
  O  O10  1  0.719  0.265  0.250  1.0
  O  O11  1  0.265  0.265  0.249  1.0
  O  O12  1  0.265  0.719  0.249  1.0
  Sb  Sb13  1  0.500  0.500  0.500  1.0
[/CIF]
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