The material described by V3(PO4)4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. In the second V site, V(2) is bonded to one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form VO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent V(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 24-38°. In the second P site, P(2) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and corners with three equivalent V(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 40°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(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(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one V(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a linear geometry to one V(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 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(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. is represented by the CIF card [CIF]
data_V3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.054
_cell_length_b   8.214
_cell_length_c   13.943
_cell_angle_alpha   81.840
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   572.963
_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
  V  V0  1  0.500  0.500  0.000  1.0
  V  V1  1  0.106  0.017  0.804  1.0
  V  V2  1  0.606  0.483  0.696  1.0
  V  V3  1  0.000  0.000  0.500  1.0
  V  V4  1  0.394  0.517  0.304  1.0
  V  V5  1  0.894  0.983  0.196  1.0
  P  P6  1  0.004  0.615  0.853  1.0
  P  P7  1  0.578  0.189  0.883  1.0
  P  P8  1  0.504  0.885  0.647  1.0
  P  P9  1  0.078  0.311  0.617  1.0
  P  P10  1  0.922  0.689  0.383  1.0
  P  P11  1  0.496  0.115  0.353  1.0
  P  P12  1  0.422  0.811  0.117  1.0
  P  P13  1  0.996  0.385  0.147  1.0
  O  O14  1  0.600  0.287  0.966  1.0
  O  O15  1  0.798  0.592  0.934  1.0
  O  O16  1  0.276  0.551  0.885  1.0
  O  O17  1  0.319  0.088  0.896  1.0
  O  O18  1  0.016  0.803  0.820  1.0
  O  O19  1  0.812  0.077  0.878  1.0
  O  O20  1  0.546  0.304  0.785  1.0
  O  O21  1  0.920  0.534  0.767  1.0
  O  O22  1  0.420  0.966  0.733  1.0
  O  O23  1  0.516  0.697  0.680  1.0
  O  O24  1  0.046  0.196  0.715  1.0
  O  O25  1  0.776  0.949  0.615  1.0
  O  O26  1  0.312  0.423  0.622  1.0
  O  O27  1  0.819  0.412  0.604  1.0
  O  O28  1  0.298  0.908  0.566  1.0
  O  O29  1  0.100  0.213  0.534  1.0
  O  O30  1  0.900  0.787  0.466  1.0
  O  O31  1  0.702  0.092  0.434  1.0
  O  O32  1  0.181  0.588  0.396  1.0
  O  O33  1  0.688  0.577  0.378  1.0
  O  O34  1  0.224  0.051  0.385  1.0
  O  O35  1  0.954  0.804  0.285  1.0
  O  O36  1  0.484  0.303  0.320  1.0
  O  O37  1  0.580  0.034  0.267  1.0
  O  O38  1  0.080  0.466  0.233  1.0
  O  O39  1  0.454  0.696  0.215  1.0
  O  O40  1  0.188  0.923  0.122  1.0
  O  O41  1  0.984  0.197  0.180  1.0
  O  O42  1  0.681  0.912  0.104  1.0
  O  O43  1  0.724  0.449  0.115  1.0
  O  O44  1  0.202  0.408  0.066  1.0
  O  O45  1  0.400  0.713  0.034  1.0
[/CIF]
.
The material described by V3(PO4)4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. In the second V site, V(2) is bonded to one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form VO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent V(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 24-38°. In the second P site, P(2) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and corners with three equivalent V(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 40°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(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(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one V(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a linear geometry to one V(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 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(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. is represented by the CIF card [CIF]
data_V3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.054
_cell_length_b   8.214
_cell_length_c   13.943
_cell_angle_alpha   81.840
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   572.963
_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
  V  V0  1  0.500  0.500  0.000  1.0
  V  V1  1  0.106  0.017  0.804  1.0
  V  V2  1  0.606  0.483  0.696  1.0
  V  V3  1  0.000  0.000  0.500  1.0
  V  V4  1  0.394  0.517  0.304  1.0
  V  V5  1  0.894  0.983  0.196  1.0
  P  P6  1  0.004  0.615  0.853  1.0
  P  P7  1  0.578  0.189  0.883  1.0
  P  P8  1  0.504  0.885  0.647  1.0
  P  P9  1  0.078  0.311  0.617  1.0
  P  P10  1  0.922  0.689  0.383  1.0
  P  P11  1  0.496  0.115  0.353  1.0
  P  P12  1  0.422  0.811  0.117  1.0
  P  P13  1  0.996  0.385  0.147  1.0
  O  O14  1  0.600  0.287  0.966  1.0
  O  O15  1  0.798  0.592  0.934  1.0
  O  O16  1  0.276  0.551  0.885  1.0
  O  O17  1  0.319  0.088  0.896  1.0
  O  O18  1  0.016  0.803  0.820  1.0
  O  O19  1  0.812  0.077  0.878  1.0
  O  O20  1  0.546  0.304  0.785  1.0
  O  O21  1  0.920  0.534  0.767  1.0
  O  O22  1  0.420  0.966  0.733  1.0
  O  O23  1  0.516  0.697  0.680  1.0
  O  O24  1  0.046  0.196  0.715  1.0
  O  O25  1  0.776  0.949  0.615  1.0
  O  O26  1  0.312  0.423  0.622  1.0
  O  O27  1  0.819  0.412  0.604  1.0
  O  O28  1  0.298  0.908  0.566  1.0
  O  O29  1  0.100  0.213  0.534  1.0
  O  O30  1  0.900  0.787  0.466  1.0
  O  O31  1  0.702  0.092  0.434  1.0
  O  O32  1  0.181  0.588  0.396  1.0
  O  O33  1  0.688  0.577  0.378  1.0
  O  O34  1  0.224  0.051  0.385  1.0
  O  O35  1  0.954  0.804  0.285  1.0
  O  O36  1  0.484  0.303  0.320  1.0
  O  O37  1  0.580  0.034  0.267  1.0
  O  O38  1  0.080  0.466  0.233  1.0
  O  O39  1  0.454  0.696  0.215  1.0
  O  O40  1  0.188  0.923  0.122  1.0
  O  O41  1  0.984  0.197  0.180  1.0
  O  O42  1  0.681  0.912  0.104  1.0
  O  O43  1  0.724  0.449  0.115  1.0
  O  O44  1  0.202  0.408  0.066  1.0
  O  O45  1  0.400  0.713  0.034  1.0
[/CIF]
.