The compound described by PrV2O6 crystallizes in the monoclinic P2_1 space group. Pr(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(5) atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 11-24°. In the second V site, V(2) is bonded to one O(1), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 11-26°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Pr(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Pr(1) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Pr(1) and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Pr(1) and two equivalent V(2) atoms. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Pr(1) and two equivalent V(1) atoms. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Pr(1), one V(1), and one V(2) atom. is represented by the CIF file [CIF]
data_PrV2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.414
_cell_length_b   5.426
_cell_length_c   7.619
_cell_angle_alpha   89.781
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   223.843
_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
  Pr  Pr0  1  0.009  0.278  0.257  1.0
  Pr  Pr1  1  0.509  0.722  0.743  1.0
  V  V2  1  0.002  0.757  0.502  1.0
  V  V3  1  0.036  0.761  0.007  1.0
  V  V4  1  0.536  0.239  0.993  1.0
  V  V5  1  0.502  0.243  0.498  1.0
  O  O6  1  0.054  0.757  0.760  1.0
  O  O7  1  0.235  0.032  0.475  1.0
  O  O8  1  0.219  0.028  0.030  1.0
  O  O9  1  0.256  0.522  0.027  1.0
  O  O10  1  0.251  0.525  0.477  1.0
  O  O11  1  0.448  0.255  0.760  1.0
  O  O12  1  0.554  0.243  0.240  1.0
  O  O13  1  0.735  0.968  0.525  1.0
  O  O14  1  0.719  0.972  0.970  1.0
  O  O15  1  0.751  0.475  0.523  1.0
  O  O16  1  0.756  0.478  0.973  1.0
  O  O17  1  0.948  0.745  0.240  1.0
[/CIF]
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The compound described by PrV2O6 crystallizes in the monoclinic P2_1 space group. Pr(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(5) atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 11-24°. In the second V site, V(2) is bonded to one O(1), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 11-26°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Pr(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Pr(1) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Pr(1) and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Pr(1) and two equivalent V(2) atoms. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Pr(1) and two equivalent V(1) atoms. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Pr(1), one V(1), and one V(2) atom. is represented by the CIF file [CIF]
data_PrV2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.414
_cell_length_b   5.426
_cell_length_c   7.619
_cell_angle_alpha   89.781
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   223.843
_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
  Pr  Pr0  1  0.009  0.278  0.257  1.0
  Pr  Pr1  1  0.509  0.722  0.743  1.0
  V  V2  1  0.002  0.757  0.502  1.0
  V  V3  1  0.036  0.761  0.007  1.0
  V  V4  1  0.536  0.239  0.993  1.0
  V  V5  1  0.502  0.243  0.498  1.0
  O  O6  1  0.054  0.757  0.760  1.0
  O  O7  1  0.235  0.032  0.475  1.0
  O  O8  1  0.219  0.028  0.030  1.0
  O  O9  1  0.256  0.522  0.027  1.0
  O  O10  1  0.251  0.525  0.477  1.0
  O  O11  1  0.448  0.255  0.760  1.0
  O  O12  1  0.554  0.243  0.240  1.0
  O  O13  1  0.735  0.968  0.525  1.0
  O  O14  1  0.719  0.972  0.970  1.0
  O  O15  1  0.751  0.475  0.523  1.0
  O  O16  1  0.756  0.478  0.973  1.0
  O  O17  1  0.948  0.745  0.240  1.0
[/CIF]
.