The compound described by YV3O6 is beta indium sulfide-derived structured and crystallizes in the trigonal P-3m1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(1) and three equivalent O(4) atoms to form YO4 tetrahedra that share corners with three equivalent V(3)O6 octahedra and corners with nine equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-65°. In the second Y site, Y(2) is bonded to one O(2) and three equivalent O(6) atoms to form YO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(4)O6 octahedra, and corners with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-62°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), two equivalent O(4), and two equivalent O(5) atoms to form VO6 octahedra that share  a cornercorner with one Y(2)O4 tetrahedra, corners with three equivalent Y(1)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(3) and four equivalent O(6) atoms to form VO6 octahedra that share corners with four equivalent Y(2)O4 tetrahedra, edges with two equivalent V(4)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. In the third V site, V(3) is bonded to six equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent Y(1)O4 tetrahedra and edges with six equivalent V(1)O6 octahedra. In the fourth V site, V(4) is bonded to three equivalent O(5) and three equivalent O(6) atoms to form VO6 octahedra that share corners with three equivalent Y(2)O4 tetrahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Y(1) and three equivalent V(1) atoms. In the second O site, O(2) is bonded to one Y(2) and three equivalent V(1) atoms to form a mixture of corner and edge-sharing OYV3 tetrahedra. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to three equivalent V(2) atoms. In the fourth O site, O(4) is bonded to one Y(1), one V(3), and two equivalent V(1) atoms to form a mixture of corner and edge-sharing OYV3 tetrahedra. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one V(4) and two equivalent V(1) atoms. In the sixth O site, O(6) is bonded to one Y(2), one V(4), and two equivalent V(2) atoms to form a mixture of distorted corner and edge-sharing OYV3 tetrahedra. is represented by the CIF card [CIF]
data_YV3O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.295
_cell_length_b   6.295
_cell_length_c   15.143
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   519.746
_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
  Y  Y0  1  0.333  0.667  0.055  1.0
  Y  Y1  1  0.000  0.000  0.370  1.0
  Y  Y2  1  0.667  0.333  0.945  1.0
  Y  Y3  1  0.000  0.000  0.630  1.0
  V  V4  1  0.170  0.340  0.832  1.0
  V  V5  1  0.830  0.660  0.168  1.0
  V  V6  1  0.500  0.000  0.500  1.0
  V  V7  1  0.170  0.830  0.832  1.0
  V  V8  1  0.830  0.170  0.168  1.0
  V  V9  1  0.500  0.500  0.500  1.0
  V  V10  1  0.000  0.000  0.000  1.0
  V  V11  1  0.667  0.333  0.327  1.0
  V  V12  1  0.333  0.667  0.673  1.0
  V  V13  1  0.660  0.830  0.832  1.0
  V  V14  1  0.340  0.170  0.168  1.0
  V  V15  1  0.000  0.500  0.500  1.0
  O  O16  1  0.333  0.667  0.913  1.0
  O  O17  1  0.000  0.000  0.232  1.0
  O  O18  1  0.667  0.333  0.559  1.0
  O  O19  1  0.284  0.142  0.913  1.0
  O  O20  1  0.952  0.476  0.237  1.0
  O  O21  1  0.626  0.813  0.582  1.0
  O  O22  1  0.858  0.716  0.913  1.0
  O  O23  1  0.524  0.048  0.237  1.0
  O  O24  1  0.187  0.374  0.582  1.0
  O  O25  1  0.858  0.142  0.913  1.0
  O  O26  1  0.524  0.476  0.237  1.0
  O  O27  1  0.187  0.813  0.582  1.0
  O  O28  1  0.716  0.858  0.087  1.0
  O  O29  1  0.374  0.187  0.418  1.0
  O  O30  1  0.048  0.524  0.763  1.0
  O  O31  1  0.667  0.333  0.087  1.0
  O  O32  1  0.333  0.667  0.441  1.0
  O  O33  1  0.000  0.000  0.768  1.0
  O  O34  1  0.142  0.284  0.087  1.0
  O  O35  1  0.813  0.626  0.418  1.0
  O  O36  1  0.476  0.952  0.763  1.0
  O  O37  1  0.142  0.858  0.087  1.0
  O  O38  1  0.813  0.187  0.418  1.0
  O  O39  1  0.476  0.524  0.763  1.0
[/CIF]
.
The compound described by YV3O6 is beta indium sulfide-derived structured and crystallizes in the trigonal P-3m1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(1) and three equivalent O(4) atoms to form YO4 tetrahedra that share corners with three equivalent V(3)O6 octahedra and corners with nine equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-65°. In the second Y site, Y(2) is bonded to one O(2) and three equivalent O(6) atoms to form YO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(4)O6 octahedra, and corners with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-62°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), two equivalent O(4), and two equivalent O(5) atoms to form VO6 octahedra that share  a cornercorner with one Y(2)O4 tetrahedra, corners with three equivalent Y(1)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(3) and four equivalent O(6) atoms to form VO6 octahedra that share corners with four equivalent Y(2)O4 tetrahedra, edges with two equivalent V(4)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. In the third V site, V(3) is bonded to six equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent Y(1)O4 tetrahedra and edges with six equivalent V(1)O6 octahedra. In the fourth V site, V(4) is bonded to three equivalent O(5) and three equivalent O(6) atoms to form VO6 octahedra that share corners with three equivalent Y(2)O4 tetrahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Y(1) and three equivalent V(1) atoms. In the second O site, O(2) is bonded to one Y(2) and three equivalent V(1) atoms to form a mixture of corner and edge-sharing OYV3 tetrahedra. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to three equivalent V(2) atoms. In the fourth O site, O(4) is bonded to one Y(1), one V(3), and two equivalent V(1) atoms to form a mixture of corner and edge-sharing OYV3 tetrahedra. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one V(4) and two equivalent V(1) atoms. In the sixth O site, O(6) is bonded to one Y(2), one V(4), and two equivalent V(2) atoms to form a mixture of distorted corner and edge-sharing OYV3 tetrahedra. is represented by the CIF card [CIF]
data_YV3O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.295
_cell_length_b   6.295
_cell_length_c   15.143
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   519.746
_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
  Y  Y0  1  0.333  0.667  0.055  1.0
  Y  Y1  1  0.000  0.000  0.370  1.0
  Y  Y2  1  0.667  0.333  0.945  1.0
  Y  Y3  1  0.000  0.000  0.630  1.0
  V  V4  1  0.170  0.340  0.832  1.0
  V  V5  1  0.830  0.660  0.168  1.0
  V  V6  1  0.500  0.000  0.500  1.0
  V  V7  1  0.170  0.830  0.832  1.0
  V  V8  1  0.830  0.170  0.168  1.0
  V  V9  1  0.500  0.500  0.500  1.0
  V  V10  1  0.000  0.000  0.000  1.0
  V  V11  1  0.667  0.333  0.327  1.0
  V  V12  1  0.333  0.667  0.673  1.0
  V  V13  1  0.660  0.830  0.832  1.0
  V  V14  1  0.340  0.170  0.168  1.0
  V  V15  1  0.000  0.500  0.500  1.0
  O  O16  1  0.333  0.667  0.913  1.0
  O  O17  1  0.000  0.000  0.232  1.0
  O  O18  1  0.667  0.333  0.559  1.0
  O  O19  1  0.284  0.142  0.913  1.0
  O  O20  1  0.952  0.476  0.237  1.0
  O  O21  1  0.626  0.813  0.582  1.0
  O  O22  1  0.858  0.716  0.913  1.0
  O  O23  1  0.524  0.048  0.237  1.0
  O  O24  1  0.187  0.374  0.582  1.0
  O  O25  1  0.858  0.142  0.913  1.0
  O  O26  1  0.524  0.476  0.237  1.0
  O  O27  1  0.187  0.813  0.582  1.0
  O  O28  1  0.716  0.858  0.087  1.0
  O  O29  1  0.374  0.187  0.418  1.0
  O  O30  1  0.048  0.524  0.763  1.0
  O  O31  1  0.667  0.333  0.087  1.0
  O  O32  1  0.333  0.667  0.441  1.0
  O  O33  1  0.000  0.000  0.768  1.0
  O  O34  1  0.142  0.284  0.087  1.0
  O  O35  1  0.813  0.626  0.418  1.0
  O  O36  1  0.476  0.952  0.763  1.0
  O  O37  1  0.142  0.858  0.087  1.0
  O  O38  1  0.813  0.187  0.418  1.0
  O  O39  1  0.476  0.524  0.763  1.0
[/CIF]
.