The compound described by Li6Fe5SbO12 is Ilmenite-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with two equivalent Li(2)O4 trigonal pyramids, edges with three equivalent Fe(1)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and edges with two equivalent Li(2)O4 trigonal pyramids. In the second Fe site, Fe(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with two equivalent Li(2)O4 trigonal pyramids, edges with six equivalent Fe(1)O6 octahedra, and edges with two equivalent Li(2)O4 trigonal pyramids. In the third Fe site, Fe(3) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with two equivalent Li(2)O4 trigonal pyramids, edges with three equivalent Fe(3)O6 octahedra, and edges with three equivalent Sb(1)O6 octahedra. Sb(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form SbO6 octahedra that share corners with two equivalent Li(2)O4 trigonal pyramids and edges with six equivalent Fe(3)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Fe(3), and one Sb(1) atom. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), one Fe(2), and two equivalent Fe(1) atoms to form OLi3Fe3 octahedra that share  a cornercorner with one O(3)Li3Fe3 octahedra, corners with two equivalent O(2)Li3Fe3 octahedra,  a cornercorner with one O(4)LiFe2Sb trigonal pyramid, edges with four equivalent O(3)Li3Fe3 octahedra, and edges with five equivalent O(2)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), one Fe(2), and two equivalent Fe(1) atoms to form OLi3Fe3 octahedra that share  a cornercorner with one O(3)Li3Fe3 octahedra, corners with two equivalent O(2)Li3Fe3 octahedra,  a cornercorner with one O(4)LiFe2Sb trigonal pyramid,  an edgeedge with one O(3)Li3Fe3 octahedra, and edges with eight equivalent O(2)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Fe(3), and one Sb(1) atom to form distorted OLiFe2Sb trigonal pyramids that share  a cornercorner with one O(3)Li3Fe3 octahedra, corners with two equivalent O(2)Li3Fe3 octahedra,  a cornercorner with one O(4)LiFe2Sb trigonal pyramid, and  an edgeedge with one O(4)LiFe2Sb trigonal pyramid. The corner-sharing octahedral tilt angles range from 55-62°. is represented by the CIF card [CIF]
data_Li6Fe5SbO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.312
_cell_length_b   5.312
_cell_length_c   10.475
_cell_angle_alpha   86.110
_cell_angle_beta   86.110
_cell_angle_gamma   120.199
_symmetry_Int_Tables_number   1
_cell_volume   253.043
_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
  Li  Li0  1  0.883  0.552  0.284  1.0
  Li  Li1  1  0.780  0.780  0.711  1.0
  Li  Li2  1  0.448  0.117  0.716  1.0
  Li  Li3  1  0.552  0.883  0.284  1.0
  Li  Li4  1  0.220  0.220  0.289  1.0
  Li  Li5  1  0.117  0.448  0.716  1.0
  Fe  Fe6  1  0.830  0.170  0.500  1.0
  Fe  Fe7  1  0.500  0.500  0.500  1.0
  Fe  Fe8  1  0.170  0.830  0.500  1.0
  Fe  Fe9  1  0.661  0.339  0.000  1.0
  Fe  Fe10  1  0.339  0.661  0.000  1.0
  Sb  Sb11  1  0.000  0.000  0.000  1.0
  O  O12  1  0.031  0.350  0.898  1.0
  O  O13  1  0.650  0.969  0.102  1.0
  O  O14  1  0.824  0.473  0.613  1.0
  O  O15  1  0.867  0.867  0.392  1.0
  O  O16  1  0.527  0.176  0.387  1.0
  O  O17  1  0.711  0.711  0.893  1.0
  O  O18  1  0.289  0.289  0.107  1.0
  O  O19  1  0.473  0.824  0.613  1.0
  O  O20  1  0.133  0.133  0.608  1.0
  O  O21  1  0.176  0.527  0.387  1.0
  O  O22  1  0.350  0.031  0.898  1.0
  O  O23  1  0.969  0.650  0.102  1.0
[/CIF]
.
The compound described by Li6Fe5SbO12 is Ilmenite-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with two equivalent Li(2)O4 trigonal pyramids, edges with three equivalent Fe(1)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and edges with two equivalent Li(2)O4 trigonal pyramids. In the second Fe site, Fe(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with two equivalent Li(2)O4 trigonal pyramids, edges with six equivalent Fe(1)O6 octahedra, and edges with two equivalent Li(2)O4 trigonal pyramids. In the third Fe site, Fe(3) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with two equivalent Li(2)O4 trigonal pyramids, edges with three equivalent Fe(3)O6 octahedra, and edges with three equivalent Sb(1)O6 octahedra. Sb(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form SbO6 octahedra that share corners with two equivalent Li(2)O4 trigonal pyramids and edges with six equivalent Fe(3)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Fe(3), and one Sb(1) atom. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), one Fe(2), and two equivalent Fe(1) atoms to form OLi3Fe3 octahedra that share  a cornercorner with one O(3)Li3Fe3 octahedra, corners with two equivalent O(2)Li3Fe3 octahedra,  a cornercorner with one O(4)LiFe2Sb trigonal pyramid, edges with four equivalent O(3)Li3Fe3 octahedra, and edges with five equivalent O(2)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), one Fe(2), and two equivalent Fe(1) atoms to form OLi3Fe3 octahedra that share  a cornercorner with one O(3)Li3Fe3 octahedra, corners with two equivalent O(2)Li3Fe3 octahedra,  a cornercorner with one O(4)LiFe2Sb trigonal pyramid,  an edgeedge with one O(3)Li3Fe3 octahedra, and edges with eight equivalent O(2)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Fe(3), and one Sb(1) atom to form distorted OLiFe2Sb trigonal pyramids that share  a cornercorner with one O(3)Li3Fe3 octahedra, corners with two equivalent O(2)Li3Fe3 octahedra,  a cornercorner with one O(4)LiFe2Sb trigonal pyramid, and  an edgeedge with one O(4)LiFe2Sb trigonal pyramid. The corner-sharing octahedral tilt angles range from 55-62°. is represented by the CIF card [CIF]
data_Li6Fe5SbO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.312
_cell_length_b   5.312
_cell_length_c   10.475
_cell_angle_alpha   86.110
_cell_angle_beta   86.110
_cell_angle_gamma   120.199
_symmetry_Int_Tables_number   1
_cell_volume   253.043
_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
  Li  Li0  1  0.883  0.552  0.284  1.0
  Li  Li1  1  0.780  0.780  0.711  1.0
  Li  Li2  1  0.448  0.117  0.716  1.0
  Li  Li3  1  0.552  0.883  0.284  1.0
  Li  Li4  1  0.220  0.220  0.289  1.0
  Li  Li5  1  0.117  0.448  0.716  1.0
  Fe  Fe6  1  0.830  0.170  0.500  1.0
  Fe  Fe7  1  0.500  0.500  0.500  1.0
  Fe  Fe8  1  0.170  0.830  0.500  1.0
  Fe  Fe9  1  0.661  0.339  0.000  1.0
  Fe  Fe10  1  0.339  0.661  0.000  1.0
  Sb  Sb11  1  0.000  0.000  0.000  1.0
  O  O12  1  0.031  0.350  0.898  1.0
  O  O13  1  0.650  0.969  0.102  1.0
  O  O14  1  0.824  0.473  0.613  1.0
  O  O15  1  0.867  0.867  0.392  1.0
  O  O16  1  0.527  0.176  0.387  1.0
  O  O17  1  0.711  0.711  0.893  1.0
  O  O18  1  0.289  0.289  0.107  1.0
  O  O19  1  0.473  0.824  0.613  1.0
  O  O20  1  0.133  0.133  0.608  1.0
  O  O21  1  0.176  0.527  0.387  1.0
  O  O22  1  0.350  0.031  0.898  1.0
  O  O23  1  0.969  0.650  0.102  1.0
[/CIF]
.