The structure described by V3Cu(PO4)4 crystallizes in the monoclinic Pm space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(7), two equivalent O(11), and two equivalent O(5) atoms to form distorted VO6 octahedra that share corners with four equivalent V(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. In the second V site, V(2) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form VO6 pentagonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. In the third V site, V(3) is bonded to one O(1), one O(9), two equivalent O(11), and two equivalent O(5) atoms to form distorted VO6 octahedra that share corners with four equivalent V(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. Cu(1) is bonded in a distorted see-saw-like geometry to one O(12), one O(4), and two equivalent O(2) atoms. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(2)O6 pentagonal pyramid, and  an edgeedge with one V(2)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 32°. In the second P site, P(2) is bonded to one O(6), one O(9), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  a cornercorner with one V(2)O6 pentagonal pyramid, and  an edgeedge with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. In the third P site, P(3) is bonded to one O(4), one O(7), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and corners with two equivalent V(2)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 39°. In the fourth P site, P(4) is bonded to one O(12), one O(3), and two equivalent O(11) atoms to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-58°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(3) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(2), one Cu(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one V(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one V(2) and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(3) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(4) atom. is represented by the CIF file [CIF]
data_V3Cu(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.915
_cell_length_b   9.985
_cell_length_c   5.913
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   91.536
_symmetry_Int_Tables_number   1
_cell_volume   290.076
_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
  V  V0  1  0.480  0.229  0.750  1.0
  V  V1  1  0.543  0.781  0.250  1.0
  V  V2  1  0.977  0.268  0.250  1.0
  Cu  Cu3  1  0.089  0.711  0.750  1.0
  P  P4  1  0.097  0.601  0.250  1.0
  P  P5  1  0.404  0.095  0.250  1.0
  P  P6  1  0.562  0.902  0.750  1.0
  P  P7  1  0.921  0.404  0.750  1.0
  O  O8  1  0.141  0.450  0.250  1.0
  O  O9  1  0.261  0.673  0.054  1.0
  O  O10  1  0.261  0.673  0.446  1.0
  O  O11  1  0.224  0.376  0.750  1.0
  O  O12  1  0.253  0.883  0.750  1.0
  O  O13  1  0.262  0.169  0.048  1.0
  O  O14  1  0.262  0.169  0.452  1.0
  O  O15  1  0.329  0.945  0.250  1.0
  O  O16  1  0.643  0.051  0.750  1.0
  O  O17  1  0.692  0.832  0.537  1.0
  O  O18  1  0.692  0.832  0.963  1.0
  O  O19  1  0.712  0.118  0.250  1.0
  O  O20  1  0.794  0.630  0.250  1.0
  O  O21  1  0.769  0.328  0.548  1.0
  O  O22  1  0.769  0.328  0.952  1.0
  O  O23  1  0.863  0.552  0.750  1.0
[/CIF]
.
The structure described by V3Cu(PO4)4 crystallizes in the monoclinic Pm space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(7), two equivalent O(11), and two equivalent O(5) atoms to form distorted VO6 octahedra that share corners with four equivalent V(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. In the second V site, V(2) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form VO6 pentagonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. In the third V site, V(3) is bonded to one O(1), one O(9), two equivalent O(11), and two equivalent O(5) atoms to form distorted VO6 octahedra that share corners with four equivalent V(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. Cu(1) is bonded in a distorted see-saw-like geometry to one O(12), one O(4), and two equivalent O(2) atoms. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(2)O6 pentagonal pyramid, and  an edgeedge with one V(2)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 32°. In the second P site, P(2) is bonded to one O(6), one O(9), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  a cornercorner with one V(2)O6 pentagonal pyramid, and  an edgeedge with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. In the third P site, P(3) is bonded to one O(4), one O(7), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and corners with two equivalent V(2)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 39°. In the fourth P site, P(4) is bonded to one O(12), one O(3), and two equivalent O(11) atoms to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-58°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(3) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(2), one Cu(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one V(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one V(2) and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(3) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(4) atom. is represented by the CIF file [CIF]
data_V3Cu(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.915
_cell_length_b   9.985
_cell_length_c   5.913
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   91.536
_symmetry_Int_Tables_number   1
_cell_volume   290.076
_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
  V  V0  1  0.480  0.229  0.750  1.0
  V  V1  1  0.543  0.781  0.250  1.0
  V  V2  1  0.977  0.268  0.250  1.0
  Cu  Cu3  1  0.089  0.711  0.750  1.0
  P  P4  1  0.097  0.601  0.250  1.0
  P  P5  1  0.404  0.095  0.250  1.0
  P  P6  1  0.562  0.902  0.750  1.0
  P  P7  1  0.921  0.404  0.750  1.0
  O  O8  1  0.141  0.450  0.250  1.0
  O  O9  1  0.261  0.673  0.054  1.0
  O  O10  1  0.261  0.673  0.446  1.0
  O  O11  1  0.224  0.376  0.750  1.0
  O  O12  1  0.253  0.883  0.750  1.0
  O  O13  1  0.262  0.169  0.048  1.0
  O  O14  1  0.262  0.169  0.452  1.0
  O  O15  1  0.329  0.945  0.250  1.0
  O  O16  1  0.643  0.051  0.750  1.0
  O  O17  1  0.692  0.832  0.537  1.0
  O  O18  1  0.692  0.832  0.963  1.0
  O  O19  1  0.712  0.118  0.250  1.0
  O  O20  1  0.794  0.630  0.250  1.0
  O  O21  1  0.769  0.328  0.548  1.0
  O  O22  1  0.769  0.328  0.952  1.0
  O  O23  1  0.863  0.552  0.750  1.0
[/CIF]
.