The structure described by YV2O4 is Spinel structured and crystallizes in the trigonal R-3m space group. Y(1) is bonded to one O(2) and three equivalent O(1) atoms to form YO4 tetrahedra that share corners with three equivalent V(2)O6 octahedra and corners with nine equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-62°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form VO6 octahedra that share corners with six equivalent Y(1)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. In the second V site, V(2) is bonded to six equivalent O(1) atoms to form VO6 octahedra that share corners with six equivalent Y(1)O4 tetrahedra and edges with six equivalent V(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Y(1), one V(2), and two equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing OYV3 tetrahedra. In the second O site, O(2) is bonded to one Y(1) and three equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing OYV3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_YV2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.419
_cell_length_b   6.419
_cell_length_c   6.419
_cell_angle_alpha   58.702
_cell_angle_beta   58.702
_cell_angle_gamma   58.702
_symmetry_Int_Tables_number   1
_cell_volume   181.463
_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
  Y  Y0  1  0.625  0.625  0.625  1.0
  Y  Y1  1  0.375  0.375  0.375  1.0
  V  V2  1  0.500  0.000  0.000  1.0
  V  V3  1  0.000  0.000  0.000  1.0
  V  V4  1  0.000  0.500  0.000  1.0
  V  V5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.760  0.209  0.760  1.0
  O  O7  1  0.240  0.240  0.791  1.0
  O  O8  1  0.791  0.240  0.240  1.0
  O  O9  1  0.236  0.236  0.236  1.0
  O  O10  1  0.760  0.760  0.209  1.0
  O  O11  1  0.240  0.791  0.240  1.0
  O  O12  1  0.209  0.760  0.760  1.0
  O  O13  1  0.764  0.764  0.764  1.0
[/CIF]
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The structure described by YV2O4 is Spinel structured and crystallizes in the trigonal R-3m space group. Y(1) is bonded to one O(2) and three equivalent O(1) atoms to form YO4 tetrahedra that share corners with three equivalent V(2)O6 octahedra and corners with nine equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-62°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form VO6 octahedra that share corners with six equivalent Y(1)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. In the second V site, V(2) is bonded to six equivalent O(1) atoms to form VO6 octahedra that share corners with six equivalent Y(1)O4 tetrahedra and edges with six equivalent V(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Y(1), one V(2), and two equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing OYV3 tetrahedra. In the second O site, O(2) is bonded to one Y(1) and three equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing OYV3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_YV2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.419
_cell_length_b   6.419
_cell_length_c   6.419
_cell_angle_alpha   58.702
_cell_angle_beta   58.702
_cell_angle_gamma   58.702
_symmetry_Int_Tables_number   1
_cell_volume   181.463
_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
  Y  Y0  1  0.625  0.625  0.625  1.0
  Y  Y1  1  0.375  0.375  0.375  1.0
  V  V2  1  0.500  0.000  0.000  1.0
  V  V3  1  0.000  0.000  0.000  1.0
  V  V4  1  0.000  0.500  0.000  1.0
  V  V5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.760  0.209  0.760  1.0
  O  O7  1  0.240  0.240  0.791  1.0
  O  O8  1  0.791  0.240  0.240  1.0
  O  O9  1  0.236  0.236  0.236  1.0
  O  O10  1  0.760  0.760  0.209  1.0
  O  O11  1  0.240  0.791  0.240  1.0
  O  O12  1  0.209  0.760  0.760  1.0
  O  O13  1  0.764  0.764  0.764  1.0
[/CIF]
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