The material described by Li6V5SbO12 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 to one O(1), one O(2), and two equivalent O(4) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-59°. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(4) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, edges with six equivalent V(2)O6 octahedra, and edges with two equivalent Li(1)O4 tetrahedra. In the second V site, V(2) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, edges with three equivalent V(1)O6 octahedra, edges with three equivalent V(2)O6 octahedra, and edges with two equivalent Li(1)O4 tetrahedra. In the third V site, V(3) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, edges with three equivalent V(3)O6 octahedra, and edges with three equivalent Sb(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 two equivalent Li(1)O4 tetrahedra and edges with six equivalent V(3)O6 octahedra. There are four inequivalent O sites. In the first O site, O(4) is bonded to one Li(1), two equivalent Li(2), one V(1), and two equivalent V(2) atoms to form a mixture of corner and edge-sharing OLi3V3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(1) is bonded to one Li(1), two equivalent Li(2), one V(1), and two equivalent V(2) atoms to form a mixture of corner and edge-sharing OLi3V3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent V(3), and one Sb(1) atom. In the fourth O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), two equivalent V(3), and one Sb(1) atom. is represented by the CIF file [CIF]
data_Li6V5SbO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.279
_cell_length_b   5.279
_cell_length_c   10.560
_cell_angle_alpha   94.739
_cell_angle_beta   94.739
_cell_angle_gamma   118.539
_symmetry_Int_Tables_number   1
_cell_volume   255.087
_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  0.237  0.237  0.711  1.0
  Li  Li1  1  0.763  0.763  0.289  1.0
  Li  Li2  1  0.430  0.098  0.284  1.0
  Li  Li3  1  0.902  0.570  0.716  1.0
  Li  Li4  1  0.098  0.430  0.284  1.0
  Li  Li5  1  0.570  0.902  0.716  1.0
  O  O6  1  0.118  0.118  0.391  1.0
  O  O7  1  0.882  0.882  0.609  1.0
  O  O8  1  0.283  0.283  0.894  1.0
  O  O9  1  0.717  0.717  0.106  1.0
  O  O10  1  0.353  0.030  0.102  1.0
  O  O11  1  0.971  0.647  0.898  1.0
  O  O12  1  0.030  0.353  0.102  1.0
  O  O13  1  0.647  0.971  0.898  1.0
  O  O14  1  0.545  0.198  0.614  1.0
  O  O15  1  0.802  0.455  0.386  1.0
  O  O16  1  0.198  0.545  0.614  1.0
  O  O17  1  0.455  0.802  0.386  1.0
  Sb  Sb18  1  0.000  0.000  1.000  1.0
  V  V19  1  0.500  0.500  0.500  1.0
  V  V20  1  0.829  0.170  0.500  1.0
  V  V21  1  0.170  0.829  0.500  1.0
  V  V22  1  0.661  0.340  1.000  1.0
  V  V23  1  0.340  0.661  1.000  1.0
[/CIF]
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The material described by Li6V5SbO12 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 to one O(1), one O(2), and two equivalent O(4) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-59°. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(4) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, edges with six equivalent V(2)O6 octahedra, and edges with two equivalent Li(1)O4 tetrahedra. In the second V site, V(2) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, edges with three equivalent V(1)O6 octahedra, edges with three equivalent V(2)O6 octahedra, and edges with two equivalent Li(1)O4 tetrahedra. In the third V site, V(3) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, edges with three equivalent V(3)O6 octahedra, and edges with three equivalent Sb(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 two equivalent Li(1)O4 tetrahedra and edges with six equivalent V(3)O6 octahedra. There are four inequivalent O sites. In the first O site, O(4) is bonded to one Li(1), two equivalent Li(2), one V(1), and two equivalent V(2) atoms to form a mixture of corner and edge-sharing OLi3V3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(1) is bonded to one Li(1), two equivalent Li(2), one V(1), and two equivalent V(2) atoms to form a mixture of corner and edge-sharing OLi3V3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent V(3), and one Sb(1) atom. In the fourth O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), two equivalent V(3), and one Sb(1) atom. is represented by the CIF file [CIF]
data_Li6V5SbO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.279
_cell_length_b   5.279
_cell_length_c   10.560
_cell_angle_alpha   94.739
_cell_angle_beta   94.739
_cell_angle_gamma   118.539
_symmetry_Int_Tables_number   1
_cell_volume   255.087
_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  0.237  0.237  0.711  1.0
  Li  Li1  1  0.763  0.763  0.289  1.0
  Li  Li2  1  0.430  0.098  0.284  1.0
  Li  Li3  1  0.902  0.570  0.716  1.0
  Li  Li4  1  0.098  0.430  0.284  1.0
  Li  Li5  1  0.570  0.902  0.716  1.0
  O  O6  1  0.118  0.118  0.391  1.0
  O  O7  1  0.882  0.882  0.609  1.0
  O  O8  1  0.283  0.283  0.894  1.0
  O  O9  1  0.717  0.717  0.106  1.0
  O  O10  1  0.353  0.030  0.102  1.0
  O  O11  1  0.971  0.647  0.898  1.0
  O  O12  1  0.030  0.353  0.102  1.0
  O  O13  1  0.647  0.971  0.898  1.0
  O  O14  1  0.545  0.198  0.614  1.0
  O  O15  1  0.802  0.455  0.386  1.0
  O  O16  1  0.198  0.545  0.614  1.0
  O  O17  1  0.455  0.802  0.386  1.0
  Sb  Sb18  1  0.000  0.000  1.000  1.0
  V  V19  1  0.500  0.500  0.500  1.0
  V  V20  1  0.829  0.170  0.500  1.0
  V  V21  1  0.170  0.829  0.500  1.0
  V  V22  1  0.661  0.340  1.000  1.0
  V  V23  1  0.340  0.661  1.000  1.0
[/CIF]
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