The compound described by Li2VCu(PO4)2 is Hausmannite-derived structured and crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with four equivalent V(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cu(1)O6 pentagonal pyramids, and edges with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-67°. In the second Li site, Li(2) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with four equivalent Cu(1)O6 pentagonal pyramids, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent P(2)O4 tetrahedra. V(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Cu(1)O6 pentagonal pyramids,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-67°. Cu(1) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form distorted CuO6 pentagonal pyramids that share corners with four equivalent Li(2)O6 octahedra, corners with four equivalent V(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-72°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with three equivalent V(1)O6 octahedra,  a cornercorner with one Cu(1)O6 pentagonal pyramid, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one Cu(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 48-56°. In the second P site, P(2) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Cu(1)O6 pentagonal pyramids,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-58°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one V(1), and one P(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Cu(1), and one P(1) atom to form distorted corner-sharing OLi2CuP tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(1), one Cu(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(1), one Cu(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(2), one V(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to two equivalent Li(2), one Cu(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Li2VCu(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.083
_cell_length_b   4.753
_cell_length_c   10.302
_cell_angle_alpha   89.104
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   297.824
_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  0.000  0.500  0.000  1.0
  Li  Li1  1  0.500  0.500  0.000  1.0
  Li  Li2  1  0.000  0.000  0.500  1.0
  Li  Li3  1  0.500  0.000  0.500  1.0
  V  V4  1  0.750  0.984  0.780  1.0
  V  V5  1  0.250  0.016  0.220  1.0
  Cu  Cu6  1  0.250  0.450  0.716  1.0
  Cu  Cu7  1  0.750  0.550  0.284  1.0
  P  P8  1  0.250  0.923  0.908  1.0
  P  P9  1  0.750  0.414  0.596  1.0
  P  P10  1  0.250  0.586  0.404  1.0
  P  P11  1  0.750  0.077  0.092  1.0
  O  O12  1  0.750  0.215  0.953  1.0
  O  O13  1  0.250  0.246  0.909  1.0
  O  O14  1  0.042  0.799  0.839  1.0
  O  O15  1  0.458  0.799  0.839  1.0
  O  O16  1  0.552  0.268  0.669  1.0
  O  O17  1  0.948  0.268  0.669  1.0
  O  O18  1  0.750  0.737  0.603  1.0
  O  O19  1  0.250  0.696  0.544  1.0
  O  O20  1  0.750  0.304  0.456  1.0
  O  O21  1  0.250  0.263  0.397  1.0
  O  O22  1  0.052  0.732  0.331  1.0
  O  O23  1  0.448  0.732  0.331  1.0
  O  O24  1  0.542  0.201  0.161  1.0
  O  O25  1  0.958  0.201  0.161  1.0
  O  O26  1  0.750  0.754  0.091  1.0
  O  O27  1  0.250  0.785  0.047  1.0
[/CIF]
.
The compound described by Li2VCu(PO4)2 is Hausmannite-derived structured and crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with four equivalent V(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cu(1)O6 pentagonal pyramids, and edges with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-67°. In the second Li site, Li(2) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with four equivalent Cu(1)O6 pentagonal pyramids, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent P(2)O4 tetrahedra. V(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Cu(1)O6 pentagonal pyramids,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-67°. Cu(1) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form distorted CuO6 pentagonal pyramids that share corners with four equivalent Li(2)O6 octahedra, corners with four equivalent V(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-72°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with three equivalent V(1)O6 octahedra,  a cornercorner with one Cu(1)O6 pentagonal pyramid, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one Cu(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 48-56°. In the second P site, P(2) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Cu(1)O6 pentagonal pyramids,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-58°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one V(1), and one P(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Cu(1), and one P(1) atom to form distorted corner-sharing OLi2CuP tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(1), one Cu(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(1), one Cu(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(2), one V(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to two equivalent Li(2), one Cu(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Li2VCu(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.083
_cell_length_b   4.753
_cell_length_c   10.302
_cell_angle_alpha   89.104
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   297.824
_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  0.000  0.500  0.000  1.0
  Li  Li1  1  0.500  0.500  0.000  1.0
  Li  Li2  1  0.000  0.000  0.500  1.0
  Li  Li3  1  0.500  0.000  0.500  1.0
  V  V4  1  0.750  0.984  0.780  1.0
  V  V5  1  0.250  0.016  0.220  1.0
  Cu  Cu6  1  0.250  0.450  0.716  1.0
  Cu  Cu7  1  0.750  0.550  0.284  1.0
  P  P8  1  0.250  0.923  0.908  1.0
  P  P9  1  0.750  0.414  0.596  1.0
  P  P10  1  0.250  0.586  0.404  1.0
  P  P11  1  0.750  0.077  0.092  1.0
  O  O12  1  0.750  0.215  0.953  1.0
  O  O13  1  0.250  0.246  0.909  1.0
  O  O14  1  0.042  0.799  0.839  1.0
  O  O15  1  0.458  0.799  0.839  1.0
  O  O16  1  0.552  0.268  0.669  1.0
  O  O17  1  0.948  0.268  0.669  1.0
  O  O18  1  0.750  0.737  0.603  1.0
  O  O19  1  0.250  0.696  0.544  1.0
  O  O20  1  0.750  0.304  0.456  1.0
  O  O21  1  0.250  0.263  0.397  1.0
  O  O22  1  0.052  0.732  0.331  1.0
  O  O23  1  0.448  0.732  0.331  1.0
  O  O24  1  0.542  0.201  0.161  1.0
  O  O25  1  0.958  0.201  0.161  1.0
  O  O26  1  0.750  0.754  0.091  1.0
  O  O27  1  0.250  0.785  0.047  1.0
[/CIF]
.