The structure described by V3(PO4)4 crystallizes in the monoclinic P2_1 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(12), one O(5), one O(7), one O(8), and one O(9) atom to form distorted VO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  a cornercorner with one V(3)O5 trigonal bipyramid. In the second V site, V(2) is bonded to one O(1), one O(10), one O(13), one O(15), one O(16), and one O(4) atom to form distorted VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one V(3)O5 trigonal bipyramid. In the third V site, V(3) is bonded to one O(10), one O(3), one O(4), one O(6), and one O(7) atom to form VO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  an edgeedge with one V(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 34-55°. In the second P site, P(2) is bonded to one O(1), one O(10), one O(12), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and corners with two equivalent V(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 33-53°. In the third P site, P(3) is bonded to one O(11), one O(13), one O(16), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one V(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 19-40°. In the fourth P site, P(4) is bonded to one O(14), one O(15), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra and corners with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-48°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the second O site, O(2) is bonded in a single-bond geometry to one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(3) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one V(2), one V(3), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one V(3) and one P(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one V(1) and one P(4) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one V(2), one V(3), and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one V(2) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one P(4) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one V(2) and one P(4) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one V(2) and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.642
_cell_length_b   7.800
_cell_length_c   10.269
_cell_angle_alpha   85.593
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   610.340
_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  0.479  0.730  0.875  1.0
  V  V1  1  0.034  0.272  0.633  1.0
  V  V2  1  0.141  0.840  0.321  1.0
  V  V3  1  0.979  0.270  0.125  1.0
  V  V4  1  0.534  0.728  0.367  1.0
  V  V5  1  0.641  0.160  0.679  1.0
  P  P6  1  0.829  0.048  0.897  1.0
  P  P7  1  0.300  0.940  0.607  1.0
  P  P8  1  0.200  0.451  0.351  1.0
  P  P9  1  0.672  0.541  0.126  1.0
  P  P10  1  0.329  0.952  0.103  1.0
  P  P11  1  0.172  0.459  0.874  1.0
  P  P12  1  0.700  0.549  0.649  1.0
  P  P13  1  0.800  0.060  0.393  1.0
  O  O14  1  0.630  0.963  0.372  1.0
  O  O15  1  0.951  0.904  0.911  1.0
  O  O16  1  0.451  0.096  0.089  1.0
  O  O17  1  0.452  0.072  0.592  1.0
  O  O18  1  0.364  0.813  0.228  1.0
  O  O19  1  0.134  0.311  0.981  1.0
  O  O20  1  0.076  0.617  0.330  1.0
  O  O21  1  0.134  0.991  0.160  1.0
  O  O22  1  0.368  0.514  0.893  1.0
  O  O23  1  0.634  0.009  0.840  1.0
  O  O24  1  0.864  0.187  0.772  1.0
  O  O25  1  0.819  0.159  0.018  1.0
  O  O26  1  0.952  0.928  0.408  1.0
  O  O27  1  0.296  0.854  0.470  1.0
  O  O28  1  0.868  0.486  0.107  1.0
  O  O29  1  0.170  0.347  0.233  1.0
  O  O30  1  0.343  0.800  0.713  1.0
  O  O31  1  0.885  0.484  0.623  1.0
  O  O32  1  0.634  0.689  0.019  1.0
  O  O33  1  0.843  0.200  0.287  1.0
  O  O34  1  0.576  0.383  0.670  1.0
  O  O35  1  0.541  0.405  0.149  1.0
  O  O36  1  0.319  0.841  0.982  1.0
  O  O37  1  0.670  0.653  0.767  1.0
  O  O38  1  0.186  0.347  0.744  1.0
  O  O39  1  0.638  0.661  0.528  1.0
  O  O40  1  0.385  0.516  0.377  1.0
  O  O41  1  0.041  0.595  0.851  1.0
  O  O42  1  0.686  0.653  0.256  1.0
  O  O43  1  0.138  0.339  0.472  1.0
  O  O44  1  0.796  0.146  0.530  1.0
  O  O45  1  0.130  0.037  0.628  1.0
[/CIF]
.
The structure described by V3(PO4)4 crystallizes in the monoclinic P2_1 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(12), one O(5), one O(7), one O(8), and one O(9) atom to form distorted VO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  a cornercorner with one V(3)O5 trigonal bipyramid. In the second V site, V(2) is bonded to one O(1), one O(10), one O(13), one O(15), one O(16), and one O(4) atom to form distorted VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one V(3)O5 trigonal bipyramid. In the third V site, V(3) is bonded to one O(10), one O(3), one O(4), one O(6), and one O(7) atom to form VO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  an edgeedge with one V(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 34-55°. In the second P site, P(2) is bonded to one O(1), one O(10), one O(12), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and corners with two equivalent V(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 33-53°. In the third P site, P(3) is bonded to one O(11), one O(13), one O(16), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one V(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 19-40°. In the fourth P site, P(4) is bonded to one O(14), one O(15), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra and corners with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-48°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the second O site, O(2) is bonded in a single-bond geometry to one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(3) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one V(2), one V(3), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one V(3) and one P(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one V(1) and one P(4) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one V(2), one V(3), and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one V(2) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one P(4) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one V(2) and one P(4) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one V(2) and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.642
_cell_length_b   7.800
_cell_length_c   10.269
_cell_angle_alpha   85.593
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   610.340
_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  0.479  0.730  0.875  1.0
  V  V1  1  0.034  0.272  0.633  1.0
  V  V2  1  0.141  0.840  0.321  1.0
  V  V3  1  0.979  0.270  0.125  1.0
  V  V4  1  0.534  0.728  0.367  1.0
  V  V5  1  0.641  0.160  0.679  1.0
  P  P6  1  0.829  0.048  0.897  1.0
  P  P7  1  0.300  0.940  0.607  1.0
  P  P8  1  0.200  0.451  0.351  1.0
  P  P9  1  0.672  0.541  0.126  1.0
  P  P10  1  0.329  0.952  0.103  1.0
  P  P11  1  0.172  0.459  0.874  1.0
  P  P12  1  0.700  0.549  0.649  1.0
  P  P13  1  0.800  0.060  0.393  1.0
  O  O14  1  0.630  0.963  0.372  1.0
  O  O15  1  0.951  0.904  0.911  1.0
  O  O16  1  0.451  0.096  0.089  1.0
  O  O17  1  0.452  0.072  0.592  1.0
  O  O18  1  0.364  0.813  0.228  1.0
  O  O19  1  0.134  0.311  0.981  1.0
  O  O20  1  0.076  0.617  0.330  1.0
  O  O21  1  0.134  0.991  0.160  1.0
  O  O22  1  0.368  0.514  0.893  1.0
  O  O23  1  0.634  0.009  0.840  1.0
  O  O24  1  0.864  0.187  0.772  1.0
  O  O25  1  0.819  0.159  0.018  1.0
  O  O26  1  0.952  0.928  0.408  1.0
  O  O27  1  0.296  0.854  0.470  1.0
  O  O28  1  0.868  0.486  0.107  1.0
  O  O29  1  0.170  0.347  0.233  1.0
  O  O30  1  0.343  0.800  0.713  1.0
  O  O31  1  0.885  0.484  0.623  1.0
  O  O32  1  0.634  0.689  0.019  1.0
  O  O33  1  0.843  0.200  0.287  1.0
  O  O34  1  0.576  0.383  0.670  1.0
  O  O35  1  0.541  0.405  0.149  1.0
  O  O36  1  0.319  0.841  0.982  1.0
  O  O37  1  0.670  0.653  0.767  1.0
  O  O38  1  0.186  0.347  0.744  1.0
  O  O39  1  0.638  0.661  0.528  1.0
  O  O40  1  0.385  0.516  0.377  1.0
  O  O41  1  0.041  0.595  0.851  1.0
  O  O42  1  0.686  0.653  0.256  1.0
  O  O43  1  0.138  0.339  0.472  1.0
  O  O44  1  0.796  0.146  0.530  1.0
  O  O45  1  0.130  0.037  0.628  1.0
[/CIF]
.