The crystal structure described by LiV3Zn2O8 is Spinel-derived structured and crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and  an edgeedge with one V(6)O6 octahedra. There are six inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with four equivalent Zn(2)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent Zn(2)O4 tetrahedra, corners with four equivalent Zn(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. In the third V site, V(3) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with four equivalent Zn(2)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. In the fourth V site, V(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent Zn(2)O4 tetrahedra, corners with four equivalent Zn(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. In the fifth V site, V(5) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with four equivalent Zn(2)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. In the sixth V site, V(6) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Zn(2)O4 tetrahedra, corners with four equivalent Zn(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form ZnO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(6)O6 octahedra, and corners with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. In the second Zn site, Zn(2) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form ZnO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(6)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra, and corners with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(2), one V(4), one V(6), and one Zn(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one V(1), one V(3), one V(5), and one Zn(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(4), one V(6), and one Zn(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(1), one V(5), and one Zn(2) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(2), one V(6), and one Zn(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(3), and one Zn(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(2), one V(4), and one Zn(1) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(3), one V(5), and one Zn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV3Zn2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.001
_cell_length_b   5.997
_cell_length_c   10.318
_cell_angle_alpha   73.218
_cell_angle_beta   89.843
_cell_angle_gamma   120.213
_symmetry_Int_Tables_number   1
_cell_volume   302.269
_cell_formula_units_Z   2
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  0.303  0.617  0.062  1.0
  Li  Li1  1  0.822  0.633  0.563  1.0
  V  V2  1  0.062  0.625  0.813  1.0
  V  V3  1  0.062  0.625  0.312  1.0
  V  V4  1  0.563  0.625  0.813  1.0
  V  V5  1  0.063  0.125  0.312  1.0
  V  V6  1  0.563  0.125  0.812  1.0
  V  V7  1  0.562  0.625  0.312  1.0
  Zn  Zn8  1  0.503  0.004  0.492  1.0
  Zn  Zn9  1  0.002  0.003  0.992  1.0
  Zn  Zn10  1  0.622  0.246  0.133  1.0
  Zn  Zn11  1  0.123  0.247  0.633  1.0
  O  O12  1  0.178  0.377  0.427  1.0
  O  O13  1  0.696  0.395  0.926  1.0
  O  O14  1  0.947  0.873  0.198  1.0
  O  O15  1  0.429  0.855  0.699  1.0
  O  O16  1  0.406  0.366  0.204  1.0
  O  O17  1  0.931  0.389  0.704  1.0
  O  O18  1  0.719  0.884  0.421  1.0
  O  O19  1  0.194  0.861  0.921  1.0
  O  O20  1  0.717  0.412  0.421  1.0
  O  O21  1  0.203  0.408  0.920  1.0
  O  O22  1  0.172  0.876  0.421  1.0
  O  O23  1  0.666  0.862  0.921  1.0
  O  O24  1  0.953  0.374  0.204  1.0
  O  O25  1  0.459  0.388  0.704  1.0
  O  O26  1  0.408  0.838  0.204  1.0
  O  O27  1  0.922  0.842  0.705  1.0
[/CIF]
.
The crystal structure described by LiV3Zn2O8 is Spinel-derived structured and crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and  an edgeedge with one V(6)O6 octahedra. There are six inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with four equivalent Zn(2)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent Zn(2)O4 tetrahedra, corners with four equivalent Zn(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. In the third V site, V(3) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with four equivalent Zn(2)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. In the fourth V site, V(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent Zn(2)O4 tetrahedra, corners with four equivalent Zn(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. In the fifth V site, V(5) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with four equivalent Zn(2)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. In the sixth V site, V(6) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Zn(2)O4 tetrahedra, corners with four equivalent Zn(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form ZnO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(6)O6 octahedra, and corners with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. In the second Zn site, Zn(2) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form ZnO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(6)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra, and corners with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(2), one V(4), one V(6), and one Zn(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one V(1), one V(3), one V(5), and one Zn(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(4), one V(6), and one Zn(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(1), one V(5), and one Zn(2) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(2), one V(6), and one Zn(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(3), and one Zn(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(2), one V(4), and one Zn(1) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(3), one V(5), and one Zn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV3Zn2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.001
_cell_length_b   5.997
_cell_length_c   10.318
_cell_angle_alpha   73.218
_cell_angle_beta   89.843
_cell_angle_gamma   120.213
_symmetry_Int_Tables_number   1
_cell_volume   302.269
_cell_formula_units_Z   2
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  0.303  0.617  0.062  1.0
  Li  Li1  1  0.822  0.633  0.563  1.0
  V  V2  1  0.062  0.625  0.813  1.0
  V  V3  1  0.062  0.625  0.312  1.0
  V  V4  1  0.563  0.625  0.813  1.0
  V  V5  1  0.063  0.125  0.312  1.0
  V  V6  1  0.563  0.125  0.812  1.0
  V  V7  1  0.562  0.625  0.312  1.0
  Zn  Zn8  1  0.503  0.004  0.492  1.0
  Zn  Zn9  1  0.002  0.003  0.992  1.0
  Zn  Zn10  1  0.622  0.246  0.133  1.0
  Zn  Zn11  1  0.123  0.247  0.633  1.0
  O  O12  1  0.178  0.377  0.427  1.0
  O  O13  1  0.696  0.395  0.926  1.0
  O  O14  1  0.947  0.873  0.198  1.0
  O  O15  1  0.429  0.855  0.699  1.0
  O  O16  1  0.406  0.366  0.204  1.0
  O  O17  1  0.931  0.389  0.704  1.0
  O  O18  1  0.719  0.884  0.421  1.0
  O  O19  1  0.194  0.861  0.921  1.0
  O  O20  1  0.717  0.412  0.421  1.0
  O  O21  1  0.203  0.408  0.920  1.0
  O  O22  1  0.172  0.876  0.421  1.0
  O  O23  1  0.666  0.862  0.921  1.0
  O  O24  1  0.953  0.374  0.204  1.0
  O  O25  1  0.459  0.388  0.704  1.0
  O  O26  1  0.408  0.838  0.204  1.0
  O  O27  1  0.922  0.842  0.705  1.0
[/CIF]
.