The compound described by Li4V3Cr3(CuO8)2 is Hausmannite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, and corners with three equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-70°. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(14), one O(16), one O(5), and one O(9) atom. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(4), and one O(6) atom. In the fourth Li site, Li(4) is bonded to one O(13), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, and corners with three equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-65°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) atom to form distorted VO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-58°. In the second V site, V(2) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) atom. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. In the second Cr site, Cr(2) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. In the third Cr site, Cr(3) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom to form CrO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form CuO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-58°. In the second Cu site, Cu(2) is bonded to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom to form distorted CuO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one V(1), one Cr(3), and one Cu(1) atom. In the second O site, O(2) is bonded to one Li(4), one Cr(1), one Cr(2), and one Cu(1) atom to form distorted OLiCr2Cu tetrahedra that share corners with two equivalent O(4)LiVCr2 tetrahedra,  a cornercorner with one O(7)LiVCrCu trigonal pyramid, and  an edgeedge with one O(7)LiVCrCu trigonal pyramid. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(2), one Cr(1), and one Cr(2) atom. In the fourth O site, O(4) is bonded to one Li(3), one V(2), one Cr(1), and one Cr(2) atom to form distorted OLiVCr2 tetrahedra that share corners with two equivalent O(2)LiCr2Cu tetrahedra and corners with two equivalent O(7)LiVCrCu trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one V(1), one V(3), and one Cr(3) atom to form distorted corner-sharing OLiV2Cr tetrahedra. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(3), one Cr(3), and one Cu(1) atom. In the seventh O site, O(7) is bonded to one Li(4), one V(2), one Cr(1), and one Cu(1) atom to form distorted OLiVCrCu trigonal pyramids that share  a cornercorner with one O(2)LiCr2Cu tetrahedra, corners with two equivalent O(4)LiVCr2 tetrahedra, and  an edgeedge with one O(2)LiCr2Cu tetrahedra. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(4), one V(2), one Cr(2), and one Cu(1) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(1), one Cr(2), and one Cu(2) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one V(1), one V(3), and one Cu(1) atom. In the eleventh O site, O(11) is bonded to one Li(1), one V(1), one Cr(3), and one Cu(2) atom to form distorted corner-sharing OLiVCrCu tetrahedra. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), one V(3), one Cr(3), and one Cu(2) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one V(1), one V(3), and one Cr(3) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(2), one Cr(1), and one Cu(2) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Li(1), one V(1), one V(3), and one Cu(2) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(2), one Cr(2), and one Cu(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4V3Cr3(CuO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.839
_cell_length_b   5.899
_cell_length_c   9.751
_cell_angle_alpha   86.740
_cell_angle_beta   90.617
_cell_angle_gamma   120.276
_symmetry_Int_Tables_number   1
_cell_volume   289.508
_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  0.339  0.656  0.902  1.0
  Li  Li1  1  0.015  0.033  0.995  1.0
  Li  Li2  1  0.991  0.015  0.493  1.0
  Li  Li3  1  0.677  0.324  0.395  1.0
  V  V4  1  0.851  0.642  0.727  1.0
  V  V5  1  0.675  0.815  0.211  1.0
  V  V6  1  0.789  0.117  0.703  1.0
  Cr  Cr7  1  0.192  0.848  0.217  1.0
  Cr  Cr8  1  0.173  0.344  0.213  1.0
  Cr  Cr9  1  0.329  0.179  0.713  1.0
  Cu  Cu10  1  0.312  0.663  0.483  1.0
  Cu  Cu11  1  0.662  0.333  0.001  1.0
  O  O12  1  0.138  0.842  0.608  1.0
  O  O13  1  0.042  0.515  0.333  1.0
  O  O14  1  0.363  0.694  0.106  1.0
  O  O15  1  0.996  0.991  0.312  1.0
  O  O16  1  0.976  0.985  0.811  1.0
  O  O17  1  0.128  0.322  0.605  1.0
  O  O18  1  0.501  0.957  0.339  1.0
  O  O19  1  0.504  0.519  0.326  1.0
  O  O20  1  0.327  0.176  0.102  1.0
  O  O21  1  0.660  0.844  0.603  1.0
  O  O22  1  0.517  0.479  0.832  1.0
  O  O23  1  0.518  0.018  0.820  1.0
  O  O24  1  0.677  0.346  0.608  1.0
  O  O25  1  0.847  0.704  0.106  1.0
  O  O26  1  0.968  0.479  0.838  1.0
  O  O27  1  0.834  0.160  0.106  1.0
[/CIF]
.
The compound described by Li4V3Cr3(CuO8)2 is Hausmannite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, and corners with three equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-70°. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(14), one O(16), one O(5), and one O(9) atom. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(4), and one O(6) atom. In the fourth Li site, Li(4) is bonded to one O(13), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, and corners with three equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-65°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) atom to form distorted VO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-58°. In the second V site, V(2) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) atom. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. In the second Cr site, Cr(2) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. In the third Cr site, Cr(3) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom to form CrO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form CuO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-58°. In the second Cu site, Cu(2) is bonded to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom to form distorted CuO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one V(1), one Cr(3), and one Cu(1) atom. In the second O site, O(2) is bonded to one Li(4), one Cr(1), one Cr(2), and one Cu(1) atom to form distorted OLiCr2Cu tetrahedra that share corners with two equivalent O(4)LiVCr2 tetrahedra,  a cornercorner with one O(7)LiVCrCu trigonal pyramid, and  an edgeedge with one O(7)LiVCrCu trigonal pyramid. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(2), one Cr(1), and one Cr(2) atom. In the fourth O site, O(4) is bonded to one Li(3), one V(2), one Cr(1), and one Cr(2) atom to form distorted OLiVCr2 tetrahedra that share corners with two equivalent O(2)LiCr2Cu tetrahedra and corners with two equivalent O(7)LiVCrCu trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one V(1), one V(3), and one Cr(3) atom to form distorted corner-sharing OLiV2Cr tetrahedra. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(3), one Cr(3), and one Cu(1) atom. In the seventh O site, O(7) is bonded to one Li(4), one V(2), one Cr(1), and one Cu(1) atom to form distorted OLiVCrCu trigonal pyramids that share  a cornercorner with one O(2)LiCr2Cu tetrahedra, corners with two equivalent O(4)LiVCr2 tetrahedra, and  an edgeedge with one O(2)LiCr2Cu tetrahedra. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(4), one V(2), one Cr(2), and one Cu(1) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(1), one Cr(2), and one Cu(2) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one V(1), one V(3), and one Cu(1) atom. In the eleventh O site, O(11) is bonded to one Li(1), one V(1), one Cr(3), and one Cu(2) atom to form distorted corner-sharing OLiVCrCu tetrahedra. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), one V(3), one Cr(3), and one Cu(2) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one V(1), one V(3), and one Cr(3) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(2), one Cr(1), and one Cu(2) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Li(1), one V(1), one V(3), and one Cu(2) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(2), one Cr(2), and one Cu(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4V3Cr3(CuO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.839
_cell_length_b   5.899
_cell_length_c   9.751
_cell_angle_alpha   86.740
_cell_angle_beta   90.617
_cell_angle_gamma   120.276
_symmetry_Int_Tables_number   1
_cell_volume   289.508
_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  0.339  0.656  0.902  1.0
  Li  Li1  1  0.015  0.033  0.995  1.0
  Li  Li2  1  0.991  0.015  0.493  1.0
  Li  Li3  1  0.677  0.324  0.395  1.0
  V  V4  1  0.851  0.642  0.727  1.0
  V  V5  1  0.675  0.815  0.211  1.0
  V  V6  1  0.789  0.117  0.703  1.0
  Cr  Cr7  1  0.192  0.848  0.217  1.0
  Cr  Cr8  1  0.173  0.344  0.213  1.0
  Cr  Cr9  1  0.329  0.179  0.713  1.0
  Cu  Cu10  1  0.312  0.663  0.483  1.0
  Cu  Cu11  1  0.662  0.333  0.001  1.0
  O  O12  1  0.138  0.842  0.608  1.0
  O  O13  1  0.042  0.515  0.333  1.0
  O  O14  1  0.363  0.694  0.106  1.0
  O  O15  1  0.996  0.991  0.312  1.0
  O  O16  1  0.976  0.985  0.811  1.0
  O  O17  1  0.128  0.322  0.605  1.0
  O  O18  1  0.501  0.957  0.339  1.0
  O  O19  1  0.504  0.519  0.326  1.0
  O  O20  1  0.327  0.176  0.102  1.0
  O  O21  1  0.660  0.844  0.603  1.0
  O  O22  1  0.517  0.479  0.832  1.0
  O  O23  1  0.518  0.018  0.820  1.0
  O  O24  1  0.677  0.346  0.608  1.0
  O  O25  1  0.847  0.704  0.106  1.0
  O  O26  1  0.968  0.479  0.838  1.0
  O  O27  1  0.834  0.160  0.106  1.0
[/CIF]
.