The compound described by BaVPO6 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 9-coordinate geometry to one O(2), one O(4), one O(5), two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms. V(1) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form distorted VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and  an edgeedge with one V(1)O6 octahedra. P(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-62°. There are six inequivalent O sites. In the first O site, O(6) is bonded in a 1-coordinate geometry to two equivalent Ba(1), one V(1), and one P(1) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one P(1) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1) and two equivalent V(1) atoms. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one V(1) atom. In the fifth O site, O(4) is bonded in a 2-coordinate geometry to one Ba(1), one V(1), and one P(1) atom. In the sixth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one V(1), and one P(1) atom. is represented by the CIF card [CIF]
data_BaVPO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.038
_cell_length_b   5.721
_cell_length_c   8.701
_cell_angle_alpha   88.825
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   499.599
_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
  Ba  Ba0  1  0.191  0.147  0.413  1.0
  Ba  Ba1  1  0.691  0.853  0.087  1.0
  Ba  Ba2  1  0.809  0.853  0.587  1.0
  Ba  Ba3  1  0.309  0.147  0.913  1.0
  V  V4  1  0.088  0.653  0.084  1.0
  V  V5  1  0.588  0.347  0.416  1.0
  V  V6  1  0.912  0.347  0.916  1.0
  V  V7  1  0.412  0.653  0.584  1.0
  P  P8  1  0.884  0.349  0.281  1.0
  P  P9  1  0.384  0.651  0.219  1.0
  P  P10  1  0.116  0.651  0.719  1.0
  P  P11  1  0.616  0.349  0.781  1.0
  O  O12  1  0.915  0.131  0.375  1.0
  O  O13  1  0.415  0.869  0.125  1.0
  O  O14  1  0.085  0.869  0.625  1.0
  O  O15  1  0.585  0.131  0.875  1.0
  O  O16  1  0.068  0.312  0.986  1.0
  O  O17  1  0.568  0.688  0.514  1.0
  O  O18  1  0.932  0.688  0.014  1.0
  O  O19  1  0.432  0.312  0.486  1.0
  O  O20  1  0.131  0.903  0.158  1.0
  O  O21  1  0.631  0.097  0.342  1.0
  O  O22  1  0.869  0.097  0.842  1.0
  O  O23  1  0.369  0.903  0.658  1.0
  O  O24  1  0.331  0.713  0.382  1.0
  O  O25  1  0.831  0.287  0.118  1.0
  O  O26  1  0.669  0.287  0.618  1.0
  O  O27  1  0.169  0.713  0.882  1.0
  O  O28  1  0.483  0.489  0.766  1.0
  O  O29  1  0.983  0.511  0.734  1.0
  O  O30  1  0.517  0.511  0.234  1.0
  O  O31  1  0.017  0.489  0.266  1.0
  O  O32  1  0.224  0.494  0.647  1.0
  O  O33  1  0.724  0.506  0.853  1.0
  O  O34  1  0.776  0.506  0.353  1.0
  O  O35  1  0.276  0.494  0.147  1.0
[/CIF]
.
The compound described by BaVPO6 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 9-coordinate geometry to one O(2), one O(4), one O(5), two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms. V(1) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form distorted VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and  an edgeedge with one V(1)O6 octahedra. P(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-62°. There are six inequivalent O sites. In the first O site, O(6) is bonded in a 1-coordinate geometry to two equivalent Ba(1), one V(1), and one P(1) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one P(1) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1) and two equivalent V(1) atoms. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one V(1) atom. In the fifth O site, O(4) is bonded in a 2-coordinate geometry to one Ba(1), one V(1), and one P(1) atom. In the sixth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one V(1), and one P(1) atom. is represented by the CIF card [CIF]
data_BaVPO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.038
_cell_length_b   5.721
_cell_length_c   8.701
_cell_angle_alpha   88.825
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   499.599
_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
  Ba  Ba0  1  0.191  0.147  0.413  1.0
  Ba  Ba1  1  0.691  0.853  0.087  1.0
  Ba  Ba2  1  0.809  0.853  0.587  1.0
  Ba  Ba3  1  0.309  0.147  0.913  1.0
  V  V4  1  0.088  0.653  0.084  1.0
  V  V5  1  0.588  0.347  0.416  1.0
  V  V6  1  0.912  0.347  0.916  1.0
  V  V7  1  0.412  0.653  0.584  1.0
  P  P8  1  0.884  0.349  0.281  1.0
  P  P9  1  0.384  0.651  0.219  1.0
  P  P10  1  0.116  0.651  0.719  1.0
  P  P11  1  0.616  0.349  0.781  1.0
  O  O12  1  0.915  0.131  0.375  1.0
  O  O13  1  0.415  0.869  0.125  1.0
  O  O14  1  0.085  0.869  0.625  1.0
  O  O15  1  0.585  0.131  0.875  1.0
  O  O16  1  0.068  0.312  0.986  1.0
  O  O17  1  0.568  0.688  0.514  1.0
  O  O18  1  0.932  0.688  0.014  1.0
  O  O19  1  0.432  0.312  0.486  1.0
  O  O20  1  0.131  0.903  0.158  1.0
  O  O21  1  0.631  0.097  0.342  1.0
  O  O22  1  0.869  0.097  0.842  1.0
  O  O23  1  0.369  0.903  0.658  1.0
  O  O24  1  0.331  0.713  0.382  1.0
  O  O25  1  0.831  0.287  0.118  1.0
  O  O26  1  0.669  0.287  0.618  1.0
  O  O27  1  0.169  0.713  0.882  1.0
  O  O28  1  0.483  0.489  0.766  1.0
  O  O29  1  0.983  0.511  0.734  1.0
  O  O30  1  0.517  0.511  0.234  1.0
  O  O31  1  0.017  0.489  0.266  1.0
  O  O32  1  0.224  0.494  0.647  1.0
  O  O33  1  0.724  0.506  0.853  1.0
  O  O34  1  0.776  0.506  0.353  1.0
  O  O35  1  0.276  0.494  0.147  1.0
[/CIF]
.