The material described by Li4V2Co3Cu3O16 is Hausmannite-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, corners with three equivalent V(2)O6 octahedra, and corners with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-66°. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form LiO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with three equivalent V(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-68°. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with three equivalent V(1)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-66°. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with three equivalent V(1)O6 octahedra, and corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-65°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted VO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. In the second V site, V(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted VO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Cu(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, edges with four equivalent Cu(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. In the second Co site, Co(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form CuO6 octahedra that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the second Cu site, Cu(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CuO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, edges with four equivalent Co(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(1), one Co(2), and one Cu(2) atom. In the second O site, O(2) is bonded to one Li(4), one V(1), and two equivalent Cu(1) atoms to form distorted OLiVCu2 tetrahedra that share corners with two equivalent O(4)LiCoCu2 tetrahedra, corners with two equivalent O(6)LiVCoCu tetrahedra,  a cornercorner with one O(10)LiCo2Cu trigonal pyramid, and edges with two equivalent O(6)LiVCoCu tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Co(1), and two equivalent Cu(1) atoms to form OLiCoCu2 tetrahedra that share corners with two equivalent O(2)LiVCu2 tetrahedra and corners with four equivalent O(6)LiVCoCu tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Co(2), and one Cu(2) atom to form OLiCo2Cu tetrahedra that share corners with two equivalent O(12)LiVCo2 tetrahedra, corners with four equivalent O(9)LiVCoCu tetrahedra, and corners with three equivalent O(10)LiCo2Cu trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(4), one V(1), one Co(1), and one Cu(1) atom to form distorted OLiVCoCu tetrahedra that share  a cornercorner with one O(6)LiVCoCu tetrahedra,  a cornercorner with one O(2)LiVCu2 tetrahedra, corners with two equivalent O(4)LiCoCu2 tetrahedra,  a cornercorner with one O(10)LiCo2Cu trigonal pyramid,  an edgeedge with one O(6)LiVCoCu tetrahedra, and  an edgeedge with one O(2)LiVCu2 tetrahedra. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(2), and two equivalent Cu(1) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(1), and two equivalent Co(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one V(2), one Co(2), and one Cu(2) atom to form distorted OLiVCoCu tetrahedra that share  a cornercorner with one O(12)LiVCo2 tetrahedra,  a cornercorner with one O(9)LiVCoCu tetrahedra, corners with two equivalent O(5)LiCo2Cu tetrahedra,  an edgeedge with one O(12)LiVCo2 tetrahedra,  an edgeedge with one O(9)LiVCoCu tetrahedra, and  an edgeedge with one O(10)LiCo2Cu trigonal pyramid. In the tenth O site, O(10) is bonded to one Li(4), two equivalent Co(2), and one Cu(2) atom to form distorted OLiCo2Cu trigonal pyramids that share  a cornercorner with one O(2)LiVCu2 tetrahedra, corners with two equivalent O(6)LiVCoCu tetrahedra, corners with three equivalent O(5)LiCo2Cu tetrahedra,  an edgeedge with one O(12)LiVCo2 tetrahedra, and edges with two equivalent O(9)LiVCoCu tetrahedra. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(2), one Co(1), and one Cu(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one V(2), and two equivalent Co(2) atoms to form distorted OLiVCo2 tetrahedra that share corners with two equivalent O(5)LiCo2Cu tetrahedra, corners with two equivalent O(9)LiVCoCu tetrahedra, edges with two equivalent O(9)LiVCoCu tetrahedra, and  an edgeedge with one O(10)LiCo2Cu trigonal pyramid. is represented by the CIF card [CIF]
data_Li4V2Co3Cu3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.791
_cell_length_b   5.791
_cell_length_c   9.301
_cell_angle_alpha   88.649
_cell_angle_beta   88.649
_cell_angle_gamma   59.641
_symmetry_Int_Tables_number   1
_cell_volume   269.054
_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  0.667  0.667  0.897  1.0
  Li  Li1  1  0.997  0.997  0.994  1.0
  Li  Li2  1  0.997  0.997  0.496  1.0
  Li  Li3  1  0.337  0.337  0.400  1.0
  V  V4  1  0.667  0.667  0.503  1.0
  V  V5  1  0.334  0.334  0.998  1.0
  Co  Co6  1  0.827  0.827  0.216  1.0
  Co  Co7  1  0.657  0.170  0.715  1.0
  Co  Co8  1  0.170  0.657  0.715  1.0
  Cu  Cu9  1  0.830  0.342  0.216  1.0
  Cu  Cu10  1  0.342  0.830  0.216  1.0
  Cu  Cu11  1  0.170  0.170  0.717  1.0
  O  O12  1  0.820  0.344  0.589  1.0
  O  O13  1  0.526  0.526  0.353  1.0
  O  O14  1  0.672  0.672  0.111  1.0
  O  O15  1  0.993  0.993  0.303  1.0
  O  O16  1  0.994  0.994  0.803  1.0
  O  O17  1  0.344  0.820  0.589  1.0
  O  O18  1  0.959  0.535  0.344  1.0
  O  O19  1  0.535  0.959  0.344  1.0
  O  O20  1  0.172  0.172  0.078  1.0
  O  O21  1  0.827  0.827  0.600  1.0
  O  O22  1  0.492  0.044  0.842  1.0
  O  O23  1  0.044  0.492  0.842  1.0
  O  O24  1  0.337  0.337  0.611  1.0
  O  O25  1  0.651  0.164  0.091  1.0
  O  O26  1  0.479  0.479  0.834  1.0
  O  O27  1  0.164  0.651  0.091  1.0
[/CIF]
.
The material described by Li4V2Co3Cu3O16 is Hausmannite-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, corners with three equivalent V(2)O6 octahedra, and corners with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-66°. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form LiO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with three equivalent V(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-68°. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with three equivalent V(1)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-66°. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with three equivalent V(1)O6 octahedra, and corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-65°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted VO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. In the second V site, V(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted VO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Cu(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, edges with four equivalent Cu(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. In the second Co site, Co(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form CuO6 octahedra that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the second Cu site, Cu(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CuO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, edges with four equivalent Co(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(1), one Co(2), and one Cu(2) atom. In the second O site, O(2) is bonded to one Li(4), one V(1), and two equivalent Cu(1) atoms to form distorted OLiVCu2 tetrahedra that share corners with two equivalent O(4)LiCoCu2 tetrahedra, corners with two equivalent O(6)LiVCoCu tetrahedra,  a cornercorner with one O(10)LiCo2Cu trigonal pyramid, and edges with two equivalent O(6)LiVCoCu tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Co(1), and two equivalent Cu(1) atoms to form OLiCoCu2 tetrahedra that share corners with two equivalent O(2)LiVCu2 tetrahedra and corners with four equivalent O(6)LiVCoCu tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Co(2), and one Cu(2) atom to form OLiCo2Cu tetrahedra that share corners with two equivalent O(12)LiVCo2 tetrahedra, corners with four equivalent O(9)LiVCoCu tetrahedra, and corners with three equivalent O(10)LiCo2Cu trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(4), one V(1), one Co(1), and one Cu(1) atom to form distorted OLiVCoCu tetrahedra that share  a cornercorner with one O(6)LiVCoCu tetrahedra,  a cornercorner with one O(2)LiVCu2 tetrahedra, corners with two equivalent O(4)LiCoCu2 tetrahedra,  a cornercorner with one O(10)LiCo2Cu trigonal pyramid,  an edgeedge with one O(6)LiVCoCu tetrahedra, and  an edgeedge with one O(2)LiVCu2 tetrahedra. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(2), and two equivalent Cu(1) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(1), and two equivalent Co(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one V(2), one Co(2), and one Cu(2) atom to form distorted OLiVCoCu tetrahedra that share  a cornercorner with one O(12)LiVCo2 tetrahedra,  a cornercorner with one O(9)LiVCoCu tetrahedra, corners with two equivalent O(5)LiCo2Cu tetrahedra,  an edgeedge with one O(12)LiVCo2 tetrahedra,  an edgeedge with one O(9)LiVCoCu tetrahedra, and  an edgeedge with one O(10)LiCo2Cu trigonal pyramid. In the tenth O site, O(10) is bonded to one Li(4), two equivalent Co(2), and one Cu(2) atom to form distorted OLiCo2Cu trigonal pyramids that share  a cornercorner with one O(2)LiVCu2 tetrahedra, corners with two equivalent O(6)LiVCoCu tetrahedra, corners with three equivalent O(5)LiCo2Cu tetrahedra,  an edgeedge with one O(12)LiVCo2 tetrahedra, and edges with two equivalent O(9)LiVCoCu tetrahedra. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(2), one Co(1), and one Cu(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one V(2), and two equivalent Co(2) atoms to form distorted OLiVCo2 tetrahedra that share corners with two equivalent O(5)LiCo2Cu tetrahedra, corners with two equivalent O(9)LiVCoCu tetrahedra, edges with two equivalent O(9)LiVCoCu tetrahedra, and  an edgeedge with one O(10)LiCo2Cu trigonal pyramid. is represented by the CIF card [CIF]
data_Li4V2Co3Cu3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.791
_cell_length_b   5.791
_cell_length_c   9.301
_cell_angle_alpha   88.649
_cell_angle_beta   88.649
_cell_angle_gamma   59.641
_symmetry_Int_Tables_number   1
_cell_volume   269.054
_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  0.667  0.667  0.897  1.0
  Li  Li1  1  0.997  0.997  0.994  1.0
  Li  Li2  1  0.997  0.997  0.496  1.0
  Li  Li3  1  0.337  0.337  0.400  1.0
  V  V4  1  0.667  0.667  0.503  1.0
  V  V5  1  0.334  0.334  0.998  1.0
  Co  Co6  1  0.827  0.827  0.216  1.0
  Co  Co7  1  0.657  0.170  0.715  1.0
  Co  Co8  1  0.170  0.657  0.715  1.0
  Cu  Cu9  1  0.830  0.342  0.216  1.0
  Cu  Cu10  1  0.342  0.830  0.216  1.0
  Cu  Cu11  1  0.170  0.170  0.717  1.0
  O  O12  1  0.820  0.344  0.589  1.0
  O  O13  1  0.526  0.526  0.353  1.0
  O  O14  1  0.672  0.672  0.111  1.0
  O  O15  1  0.993  0.993  0.303  1.0
  O  O16  1  0.994  0.994  0.803  1.0
  O  O17  1  0.344  0.820  0.589  1.0
  O  O18  1  0.959  0.535  0.344  1.0
  O  O19  1  0.535  0.959  0.344  1.0
  O  O20  1  0.172  0.172  0.078  1.0
  O  O21  1  0.827  0.827  0.600  1.0
  O  O22  1  0.492  0.044  0.842  1.0
  O  O23  1  0.044  0.492  0.842  1.0
  O  O24  1  0.337  0.337  0.611  1.0
  O  O25  1  0.651  0.164  0.091  1.0
  O  O26  1  0.479  0.479  0.834  1.0
  O  O27  1  0.164  0.651  0.091  1.0
[/CIF]
.