The material structure described by V3(PO4)2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form distorted VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, corners with two equivalent V(2)O5 trigonal bipyramids, corners with two equivalent V(3)O5 trigonal bipyramids,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one V(3)O5 trigonal bipyramid. In the second V site, V(2) is bonded to one O(3), one O(5), one O(6), and two equivalent O(1) atoms to form distorted VO5 trigonal bipyramids that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one V(3)O5 trigonal bipyramid,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one V(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-62°. In the third V site, V(3) is bonded to one O(2), one O(4), one O(6), one O(7), and one O(8) atom to form distorted VO5 trigonal bipyramids that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a cornercorner with one V(2)O5 trigonal bipyramid, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-68°. 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(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O5 trigonal bipyramid, corners with two equivalent V(3)O5 trigonal bipyramids,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one V(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 32°. In the second P site, P(2) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with two equivalent V(2)O5 trigonal bipyramids, and corners with three equivalent V(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 34-61°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent V(2) and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one V(2), one V(3), and one P(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one V(1), one V(3), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one P(2) atom. is represented by the CIF card [CIF]
data_V3(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.742
_cell_length_b   8.315
_cell_length_c   8.694
_cell_angle_alpha   70.047
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   662.051
_cell_formula_units_Z   4
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  0.607  0.304  0.916  1.0
  V  V1  1  0.627  1.000  0.628  1.0
  V  V2  1  0.241  0.409  0.983  1.0
  V  V3  1  0.893  0.304  0.416  1.0
  V  V4  1  0.873  1.000  0.128  1.0
  V  V5  1  0.259  0.409  0.483  1.0
  V  V6  1  0.741  0.591  0.517  1.0
  V  V7  1  0.127  0.000  0.872  1.0
  V  V8  1  0.107  0.696  0.584  1.0
  V  V9  1  0.759  0.591  0.017  1.0
  V  V10  1  0.373  0.000  0.372  1.0
  V  V11  1  0.393  0.696  0.084  1.0
  P  P12  1  0.390  0.129  0.826  1.0
  P  P13  1  0.936  0.352  0.809  1.0
  P  P14  1  0.110  0.129  0.326  1.0
  P  P15  1  0.436  0.648  0.691  1.0
  P  P16  1  0.564  0.352  0.309  1.0
  P  P17  1  0.890  0.871  0.674  1.0
  P  P18  1  0.064  0.648  0.191  1.0
  P  P19  1  0.610  0.871  0.174  1.0
  O  O20  1  0.964  0.158  0.899  1.0
  O  O21  1  0.391  0.248  0.930  1.0
  O  O22  1  0.537  0.142  0.759  1.0
  O  O23  1  0.821  0.406  0.906  1.0
  O  O24  1  0.840  0.055  0.574  1.0
  O  O25  1  0.275  0.188  0.694  1.0
  O  O26  1  0.072  0.455  0.798  1.0
  O  O27  1  0.381  0.617  0.867  1.0
  O  O28  1  0.881  0.383  0.633  1.0
  O  O29  1  0.536  0.158  0.399  1.0
  O  O30  1  0.572  0.545  0.702  1.0
  O  O31  1  0.109  0.248  0.430  1.0
  O  O32  1  0.775  0.812  0.806  1.0
  O  O33  1  0.963  0.142  0.259  1.0
  O  O34  1  0.340  0.945  0.926  1.0
  O  O35  1  0.679  0.406  0.406  1.0
  O  O36  1  0.321  0.594  0.594  1.0
  O  O37  1  0.660  0.055  0.074  1.0
  O  O38  1  0.037  0.858  0.741  1.0
  O  O39  1  0.225  0.188  0.194  1.0
  O  O40  1  0.891  0.752  0.570  1.0
  O  O41  1  0.428  0.455  0.298  1.0
  O  O42  1  0.464  0.842  0.601  1.0
  O  O43  1  0.119  0.617  0.367  1.0
  O  O44  1  0.619  0.383  0.133  1.0
  O  O45  1  0.928  0.545  0.202  1.0
  O  O46  1  0.725  0.812  0.306  1.0
  O  O47  1  0.160  0.945  0.426  1.0
  O  O48  1  0.179  0.594  0.094  1.0
  O  O49  1  0.463  0.858  0.241  1.0
  O  O50  1  0.609  0.752  0.070  1.0
  O  O51  1  0.036  0.842  0.101  1.0
[/CIF]
.
The material structure described by V3(PO4)2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form distorted VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, corners with two equivalent V(2)O5 trigonal bipyramids, corners with two equivalent V(3)O5 trigonal bipyramids,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one V(3)O5 trigonal bipyramid. In the second V site, V(2) is bonded to one O(3), one O(5), one O(6), and two equivalent O(1) atoms to form distorted VO5 trigonal bipyramids that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one V(3)O5 trigonal bipyramid,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one V(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-62°. In the third V site, V(3) is bonded to one O(2), one O(4), one O(6), one O(7), and one O(8) atom to form distorted VO5 trigonal bipyramids that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a cornercorner with one V(2)O5 trigonal bipyramid, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-68°. 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(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O5 trigonal bipyramid, corners with two equivalent V(3)O5 trigonal bipyramids,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one V(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 32°. In the second P site, P(2) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with two equivalent V(2)O5 trigonal bipyramids, and corners with three equivalent V(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 34-61°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent V(2) and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one V(2), one V(3), and one P(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one V(1), one V(3), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one P(2) atom. is represented by the CIF card [CIF]
data_V3(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.742
_cell_length_b   8.315
_cell_length_c   8.694
_cell_angle_alpha   70.047
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   662.051
_cell_formula_units_Z   4
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  0.607  0.304  0.916  1.0
  V  V1  1  0.627  1.000  0.628  1.0
  V  V2  1  0.241  0.409  0.983  1.0
  V  V3  1  0.893  0.304  0.416  1.0
  V  V4  1  0.873  1.000  0.128  1.0
  V  V5  1  0.259  0.409  0.483  1.0
  V  V6  1  0.741  0.591  0.517  1.0
  V  V7  1  0.127  0.000  0.872  1.0
  V  V8  1  0.107  0.696  0.584  1.0
  V  V9  1  0.759  0.591  0.017  1.0
  V  V10  1  0.373  0.000  0.372  1.0
  V  V11  1  0.393  0.696  0.084  1.0
  P  P12  1  0.390  0.129  0.826  1.0
  P  P13  1  0.936  0.352  0.809  1.0
  P  P14  1  0.110  0.129  0.326  1.0
  P  P15  1  0.436  0.648  0.691  1.0
  P  P16  1  0.564  0.352  0.309  1.0
  P  P17  1  0.890  0.871  0.674  1.0
  P  P18  1  0.064  0.648  0.191  1.0
  P  P19  1  0.610  0.871  0.174  1.0
  O  O20  1  0.964  0.158  0.899  1.0
  O  O21  1  0.391  0.248  0.930  1.0
  O  O22  1  0.537  0.142  0.759  1.0
  O  O23  1  0.821  0.406  0.906  1.0
  O  O24  1  0.840  0.055  0.574  1.0
  O  O25  1  0.275  0.188  0.694  1.0
  O  O26  1  0.072  0.455  0.798  1.0
  O  O27  1  0.381  0.617  0.867  1.0
  O  O28  1  0.881  0.383  0.633  1.0
  O  O29  1  0.536  0.158  0.399  1.0
  O  O30  1  0.572  0.545  0.702  1.0
  O  O31  1  0.109  0.248  0.430  1.0
  O  O32  1  0.775  0.812  0.806  1.0
  O  O33  1  0.963  0.142  0.259  1.0
  O  O34  1  0.340  0.945  0.926  1.0
  O  O35  1  0.679  0.406  0.406  1.0
  O  O36  1  0.321  0.594  0.594  1.0
  O  O37  1  0.660  0.055  0.074  1.0
  O  O38  1  0.037  0.858  0.741  1.0
  O  O39  1  0.225  0.188  0.194  1.0
  O  O40  1  0.891  0.752  0.570  1.0
  O  O41  1  0.428  0.455  0.298  1.0
  O  O42  1  0.464  0.842  0.601  1.0
  O  O43  1  0.119  0.617  0.367  1.0
  O  O44  1  0.619  0.383  0.133  1.0
  O  O45  1  0.928  0.545  0.202  1.0
  O  O46  1  0.725  0.812  0.306  1.0
  O  O47  1  0.160  0.945  0.426  1.0
  O  O48  1  0.179  0.594  0.094  1.0
  O  O49  1  0.463  0.858  0.241  1.0
  O  O50  1  0.609  0.752  0.070  1.0
  O  O51  1  0.036  0.842  0.101  1.0
[/CIF]
.