The material described by ThV2O6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. Th(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form ThO6 octahedra that share corners with eight equivalent V(1)O6 octahedra and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-56°. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with four equivalent Th(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra,  an edgeedge with one Th(1)O6 octahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-56°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a 3-coordinate geometry to one Th(1) and two equivalent V(1) atoms. In the second O site, O(1) is bonded in a trigonal planar geometry to one Th(1) and two equivalent V(1) atoms. is represented by the CIF card [CIF]
data_ThV2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.812
_cell_length_b   4.812
_cell_length_c   9.715
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   224.914
_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
  Th  Th0  1  0.000  0.000  0.000  1.0
  Th  Th1  1  0.500  0.500  0.500  1.0
  V  V2  1  0.000  0.000  0.338  1.0
  V  V3  1  0.000  0.000  0.662  1.0
  V  V4  1  0.500  0.500  0.838  1.0
  V  V5  1  0.500  0.500  0.162  1.0
  O  O6  1  0.326  0.326  0.000  1.0
  O  O7  1  0.674  0.674  0.000  1.0
  O  O8  1  0.174  0.826  0.500  1.0
  O  O9  1  0.826  0.174  0.500  1.0
  O  O10  1  0.274  0.274  0.316  1.0
  O  O11  1  0.726  0.726  0.684  1.0
  O  O12  1  0.726  0.726  0.316  1.0
  O  O13  1  0.226  0.774  0.816  1.0
  O  O14  1  0.226  0.774  0.184  1.0
  O  O15  1  0.274  0.274  0.684  1.0
  O  O16  1  0.774  0.226  0.184  1.0
  O  O17  1  0.774  0.226  0.816  1.0
[/CIF]
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The material described by ThV2O6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. Th(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form ThO6 octahedra that share corners with eight equivalent V(1)O6 octahedra and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-56°. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with four equivalent Th(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra,  an edgeedge with one Th(1)O6 octahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-56°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a 3-coordinate geometry to one Th(1) and two equivalent V(1) atoms. In the second O site, O(1) is bonded in a trigonal planar geometry to one Th(1) and two equivalent V(1) atoms. is represented by the CIF card [CIF]
data_ThV2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.812
_cell_length_b   4.812
_cell_length_c   9.715
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   224.914
_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
  Th  Th0  1  0.000  0.000  0.000  1.0
  Th  Th1  1  0.500  0.500  0.500  1.0
  V  V2  1  0.000  0.000  0.338  1.0
  V  V3  1  0.000  0.000  0.662  1.0
  V  V4  1  0.500  0.500  0.838  1.0
  V  V5  1  0.500  0.500  0.162  1.0
  O  O6  1  0.326  0.326  0.000  1.0
  O  O7  1  0.674  0.674  0.000  1.0
  O  O8  1  0.174  0.826  0.500  1.0
  O  O9  1  0.826  0.174  0.500  1.0
  O  O10  1  0.274  0.274  0.316  1.0
  O  O11  1  0.726  0.726  0.684  1.0
  O  O12  1  0.726  0.726  0.316  1.0
  O  O13  1  0.226  0.774  0.816  1.0
  O  O14  1  0.226  0.774  0.184  1.0
  O  O15  1  0.274  0.274  0.684  1.0
  O  O16  1  0.774  0.226  0.184  1.0
  O  O17  1  0.774  0.226  0.816  1.0
[/CIF]
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