The compound described by Li2V3CuO8 is Hausmannite-derived structured and crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(6), and one O(7) atom to form LiO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and corners with three equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-70°. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(4), one O(5), and one O(8) atom. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-60°. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. In the third V site, V(3) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form VO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. Cu(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form distorted CuO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-60°. There are eight inequivalent O sites. In the first O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(1), one V(2), and one Cu(1) atom. In the second O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(1), one V(3), and one Cu(1) atom. In the third O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one V(1), one V(2), and one Cu(1) atom. In the fourth O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one V(3) atom. In the fifth O site, O(4) is bonded to one Li(2), one V(1), one V(2), and one V(3) atom to form distorted corner-sharing OLiV3 tetrahedra. In the sixth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(2), one V(3), and one Cu(1) atom. In the seventh O site, O(6) is bonded to one Li(1), one V(1), one V(3), and one Cu(1) atom to form corner-sharing OLiV2Cu tetrahedra. In the eighth O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(2), one V(3), and one Cu(1) atom. is represented by the CIF card [CIF]
data_Li2V3CuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.887
_cell_length_b   5.887
_cell_length_c   9.821
_cell_angle_alpha   88.854
_cell_angle_beta   88.854
_cell_angle_gamma   120.250
_symmetry_Int_Tables_number   1
_cell_volume   293.793
_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  0.319  0.660  0.899  1.0
  Li  Li1  1  0.020  0.009  0.995  1.0
  Li  Li2  1  0.009  0.020  0.495  1.0
  Li  Li3  1  0.660  0.319  0.399  1.0
  V  V4  1  0.668  0.801  0.215  1.0
  V  V5  1  0.150  0.335  0.215  1.0
  V  V6  1  0.197  0.846  0.211  1.0
  V  V7  1  0.846  0.197  0.711  1.0
  V  V8  1  0.801  0.668  0.715  1.0
  V  V9  1  0.335  0.150  0.715  1.0
  Cu  Cu10  1  0.333  0.678  0.499  1.0
  Cu  Cu11  1  0.678  0.333  0.999  1.0
  O  O12  1  0.688  0.873  0.607  1.0
  O  O13  1  0.492  0.511  0.325  1.0
  O  O14  1  0.345  0.667  0.102  1.0
  O  O15  1  0.001  0.988  0.312  1.0
  O  O16  1  0.988  0.001  0.812  1.0
  O  O17  1  0.173  0.336  0.607  1.0
  O  O18  1  0.467  0.949  0.333  1.0
  O  O19  1  0.027  0.488  0.325  1.0
  O  O20  1  0.840  0.142  0.107  1.0
  O  O21  1  0.142  0.840  0.607  1.0
  O  O22  1  0.949  0.467  0.833  1.0
  O  O23  1  0.488  0.027  0.825  1.0
  O  O24  1  0.667  0.345  0.602  1.0
  O  O25  1  0.873  0.688  0.107  1.0
  O  O26  1  0.511  0.492  0.825  1.0
  O  O27  1  0.336  0.173  0.107  1.0
[/CIF]
.
The compound described by Li2V3CuO8 is Hausmannite-derived structured and crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(6), and one O(7) atom to form LiO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and corners with three equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-70°. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(4), one O(5), and one O(8) atom. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-60°. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. In the third V site, V(3) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form VO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. Cu(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form distorted CuO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-60°. There are eight inequivalent O sites. In the first O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(1), one V(2), and one Cu(1) atom. In the second O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(1), one V(3), and one Cu(1) atom. In the third O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one V(1), one V(2), and one Cu(1) atom. In the fourth O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one V(3) atom. In the fifth O site, O(4) is bonded to one Li(2), one V(1), one V(2), and one V(3) atom to form distorted corner-sharing OLiV3 tetrahedra. In the sixth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(2), one V(3), and one Cu(1) atom. In the seventh O site, O(6) is bonded to one Li(1), one V(1), one V(3), and one Cu(1) atom to form corner-sharing OLiV2Cu tetrahedra. In the eighth O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(2), one V(3), and one Cu(1) atom. is represented by the CIF card [CIF]
data_Li2V3CuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.887
_cell_length_b   5.887
_cell_length_c   9.821
_cell_angle_alpha   88.854
_cell_angle_beta   88.854
_cell_angle_gamma   120.250
_symmetry_Int_Tables_number   1
_cell_volume   293.793
_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  0.319  0.660  0.899  1.0
  Li  Li1  1  0.020  0.009  0.995  1.0
  Li  Li2  1  0.009  0.020  0.495  1.0
  Li  Li3  1  0.660  0.319  0.399  1.0
  V  V4  1  0.668  0.801  0.215  1.0
  V  V5  1  0.150  0.335  0.215  1.0
  V  V6  1  0.197  0.846  0.211  1.0
  V  V7  1  0.846  0.197  0.711  1.0
  V  V8  1  0.801  0.668  0.715  1.0
  V  V9  1  0.335  0.150  0.715  1.0
  Cu  Cu10  1  0.333  0.678  0.499  1.0
  Cu  Cu11  1  0.678  0.333  0.999  1.0
  O  O12  1  0.688  0.873  0.607  1.0
  O  O13  1  0.492  0.511  0.325  1.0
  O  O14  1  0.345  0.667  0.102  1.0
  O  O15  1  0.001  0.988  0.312  1.0
  O  O16  1  0.988  0.001  0.812  1.0
  O  O17  1  0.173  0.336  0.607  1.0
  O  O18  1  0.467  0.949  0.333  1.0
  O  O19  1  0.027  0.488  0.325  1.0
  O  O20  1  0.840  0.142  0.107  1.0
  O  O21  1  0.142  0.840  0.607  1.0
  O  O22  1  0.949  0.467  0.833  1.0
  O  O23  1  0.488  0.027  0.825  1.0
  O  O24  1  0.667  0.345  0.602  1.0
  O  O25  1  0.873  0.688  0.107  1.0
  O  O26  1  0.511  0.492  0.825  1.0
  O  O27  1  0.336  0.173  0.107  1.0
[/CIF]
.