The material structure described by V3BO5 crystallizes in the orthorhombic Pbam space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 63°. In the second V site, V(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 63°. In the third V site, V(3) is bonded to one O(1), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 17-63°. In the fourth V site, V(4) is bonded to two equivalent O(2) and four equivalent O(5) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 17°. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(5) is bonded to one V(1), two equivalent V(3), and two equivalent V(4) atoms to form OV5 square pyramids that share corners with two equivalent O(5)V5 square pyramids, corners with three equivalent O(3)V4 tetrahedra, edges with three equivalent O(5)V5 square pyramids, and  an edgeedge with one O(3)V4 tetrahedra. In the second O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(3), two equivalent V(2), and one B(1) atom. In the third O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one V(4), two equivalent V(1), and one B(1) atom. In the fourth O site, O(3) is bonded to one V(1), one V(2), and two equivalent V(3) atoms to form OV4 tetrahedra that share corners with three equivalent O(5)V5 square pyramids, corners with three equivalent O(3)V4 tetrahedra, and  an edgeedge with one O(5)V5 square pyramid. In the fifth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one V(3), two equivalent V(1), and one B(1) atom. is represented by the CIF card [CIF]
data_V3BO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.117
_cell_length_b   9.586
_cell_length_c   12.713
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   379.842
_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  0.500  0.004  0.221  1.0
  V  V1  1  0.500  0.996  0.779  1.0
  V  V2  1  0.500  0.496  0.721  1.0
  V  V3  1  0.500  0.504  0.279  1.0
  V  V4  1  0.500  0.000  0.500  1.0
  V  V5  1  0.500  0.500  0.000  1.0
  V  V6  1  0.000  0.244  0.388  1.0
  V  V7  1  0.000  0.756  0.612  1.0
  V  V8  1  0.000  0.256  0.888  1.0
  V  V9  1  0.000  0.744  0.112  1.0
  V  V10  1  0.000  0.000  0.000  1.0
  V  V11  1  0.000  0.500  0.500  1.0
  B  B12  1  0.000  0.275  0.140  1.0
  B  B13  1  0.000  0.725  0.860  1.0
  B  B14  1  0.000  0.225  0.640  1.0
  B  B15  1  0.000  0.775  0.360  1.0
  O  O16  1  0.000  0.347  0.045  1.0
  O  O17  1  0.000  0.653  0.955  1.0
  O  O18  1  0.000  0.153  0.545  1.0
  O  O19  1  0.000  0.847  0.455  1.0
  O  O20  1  0.000  0.130  0.141  1.0
  O  O21  1  0.000  0.870  0.859  1.0
  O  O22  1  0.000  0.370  0.641  1.0
  O  O23  1  0.000  0.630  0.359  1.0
  O  O24  1  0.500  0.116  0.361  1.0
  O  O25  1  0.500  0.884  0.639  1.0
  O  O26  1  0.500  0.384  0.861  1.0
  O  O27  1  0.500  0.616  0.139  1.0
  O  O28  1  0.000  0.348  0.235  1.0
  O  O29  1  0.000  0.652  0.765  1.0
  O  O30  1  0.000  0.152  0.735  1.0
  O  O31  1  0.000  0.848  0.265  1.0
  O  O32  1  0.500  0.387  0.422  1.0
  O  O33  1  0.500  0.613  0.578  1.0
  O  O34  1  0.500  0.113  0.922  1.0
  O  O35  1  0.500  0.887  0.078  1.0
[/CIF]
.
The material structure described by V3BO5 crystallizes in the orthorhombic Pbam space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 63°. In the second V site, V(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 63°. In the third V site, V(3) is bonded to one O(1), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 17-63°. In the fourth V site, V(4) is bonded to two equivalent O(2) and four equivalent O(5) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 17°. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(5) is bonded to one V(1), two equivalent V(3), and two equivalent V(4) atoms to form OV5 square pyramids that share corners with two equivalent O(5)V5 square pyramids, corners with three equivalent O(3)V4 tetrahedra, edges with three equivalent O(5)V5 square pyramids, and  an edgeedge with one O(3)V4 tetrahedra. In the second O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(3), two equivalent V(2), and one B(1) atom. In the third O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one V(4), two equivalent V(1), and one B(1) atom. In the fourth O site, O(3) is bonded to one V(1), one V(2), and two equivalent V(3) atoms to form OV4 tetrahedra that share corners with three equivalent O(5)V5 square pyramids, corners with three equivalent O(3)V4 tetrahedra, and  an edgeedge with one O(5)V5 square pyramid. In the fifth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one V(3), two equivalent V(1), and one B(1) atom. is represented by the CIF card [CIF]
data_V3BO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.117
_cell_length_b   9.586
_cell_length_c   12.713
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   379.842
_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  0.500  0.004  0.221  1.0
  V  V1  1  0.500  0.996  0.779  1.0
  V  V2  1  0.500  0.496  0.721  1.0
  V  V3  1  0.500  0.504  0.279  1.0
  V  V4  1  0.500  0.000  0.500  1.0
  V  V5  1  0.500  0.500  0.000  1.0
  V  V6  1  0.000  0.244  0.388  1.0
  V  V7  1  0.000  0.756  0.612  1.0
  V  V8  1  0.000  0.256  0.888  1.0
  V  V9  1  0.000  0.744  0.112  1.0
  V  V10  1  0.000  0.000  0.000  1.0
  V  V11  1  0.000  0.500  0.500  1.0
  B  B12  1  0.000  0.275  0.140  1.0
  B  B13  1  0.000  0.725  0.860  1.0
  B  B14  1  0.000  0.225  0.640  1.0
  B  B15  1  0.000  0.775  0.360  1.0
  O  O16  1  0.000  0.347  0.045  1.0
  O  O17  1  0.000  0.653  0.955  1.0
  O  O18  1  0.000  0.153  0.545  1.0
  O  O19  1  0.000  0.847  0.455  1.0
  O  O20  1  0.000  0.130  0.141  1.0
  O  O21  1  0.000  0.870  0.859  1.0
  O  O22  1  0.000  0.370  0.641  1.0
  O  O23  1  0.000  0.630  0.359  1.0
  O  O24  1  0.500  0.116  0.361  1.0
  O  O25  1  0.500  0.884  0.639  1.0
  O  O26  1  0.500  0.384  0.861  1.0
  O  O27  1  0.500  0.616  0.139  1.0
  O  O28  1  0.000  0.348  0.235  1.0
  O  O29  1  0.000  0.652  0.765  1.0
  O  O30  1  0.000  0.152  0.735  1.0
  O  O31  1  0.000  0.848  0.265  1.0
  O  O32  1  0.500  0.387  0.422  1.0
  O  O33  1  0.500  0.613  0.578  1.0
  O  O34  1  0.500  0.113  0.922  1.0
  O  O35  1  0.500  0.887  0.078  1.0
[/CIF]
.