The compound described by VTa2O6 is Rutile-derived structured and crystallizes in the tetragonal P4_2/mnm space group. Ta(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TaO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra,  an edgeedge with one Ta(1)O6 octahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-50°. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with eight equivalent Ta(1)O6 octahedra and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one V(1) atom. In the second O site, O(1) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta2VO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.780
_cell_length_b   4.780
_cell_length_c   9.116
_cell_angle_alpha   89.984
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   208.275
_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
  O  O0  1  0.689  0.311  0.000  1.0
  O  O1  1  0.811  0.811  0.500  1.0
  O  O2  1  0.189  0.189  0.500  1.0
  O  O3  1  0.311  0.689  1.000  1.0
  O  O4  1  0.296  0.704  0.325  1.0
  O  O5  1  0.704  0.296  0.325  1.0
  O  O6  1  0.296  0.704  0.675  1.0
  O  O7  1  0.796  0.796  0.825  1.0
  O  O8  1  0.204  0.204  0.825  1.0
  O  O9  1  0.204  0.204  0.175  1.0
  O  O10  1  0.704  0.296  0.675  1.0
  O  O11  1  0.796  0.796  0.175  1.0
  Ta  Ta12  1  0.500  0.500  0.170  1.0
  Ta  Ta13  1  0.000  0.000  0.670  1.0
  Ta  Ta14  1  0.500  0.500  0.830  1.0
  Ta  Ta15  1  1.000  1.000  0.330  1.0
  V  V16  1  0.000  0.000  0.000  1.0
  V  V17  1  0.500  0.500  0.500  1.0
[/CIF]
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The compound described by VTa2O6 is Rutile-derived structured and crystallizes in the tetragonal P4_2/mnm space group. Ta(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TaO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra,  an edgeedge with one Ta(1)O6 octahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-50°. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with eight equivalent Ta(1)O6 octahedra and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one V(1) atom. In the second O site, O(1) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta2VO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.780
_cell_length_b   4.780
_cell_length_c   9.116
_cell_angle_alpha   89.984
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   208.275
_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
  O  O0  1  0.689  0.311  0.000  1.0
  O  O1  1  0.811  0.811  0.500  1.0
  O  O2  1  0.189  0.189  0.500  1.0
  O  O3  1  0.311  0.689  1.000  1.0
  O  O4  1  0.296  0.704  0.325  1.0
  O  O5  1  0.704  0.296  0.325  1.0
  O  O6  1  0.296  0.704  0.675  1.0
  O  O7  1  0.796  0.796  0.825  1.0
  O  O8  1  0.204  0.204  0.825  1.0
  O  O9  1  0.204  0.204  0.175  1.0
  O  O10  1  0.704  0.296  0.675  1.0
  O  O11  1  0.796  0.796  0.175  1.0
  Ta  Ta12  1  0.500  0.500  0.170  1.0
  Ta  Ta13  1  0.000  0.000  0.670  1.0
  Ta  Ta14  1  0.500  0.500  0.830  1.0
  Ta  Ta15  1  1.000  1.000  0.330  1.0
  V  V16  1  0.000  0.000  0.000  1.0
  V  V17  1  0.500  0.500  0.500  1.0
[/CIF]
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