The material described by YV2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. Y(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form YO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra, edges with two equivalent Y(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with six equivalent Y(1)O6 octahedra and corners with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-60°. In the second V site, V(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form VO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, and edges with four equivalent Y(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Y(1), one V(1), and two equivalent V(2) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Y(1), one V(1), and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_YV2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.363
_cell_length_b   6.363
_cell_length_c   6.363
_cell_angle_alpha   120.961
_cell_angle_beta   117.993
_cell_angle_gamma   90.927
_symmetry_Int_Tables_number   1
_cell_volume   183.426
_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  0.000  0.500  0.500  1.0
  Y  Y1  1  0.500  0.500  0.000  1.0
  V  V2  1  0.377  0.127  0.250  1.0
  V  V3  1  0.623  0.873  0.750  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  0.763  0.756  0.008  1.0
  O  O7  1  0.248  0.756  0.492  1.0
  O  O8  1  0.756  0.755  0.499  1.0
  O  O9  1  0.237  0.244  0.992  1.0
  O  O10  1  0.244  0.743  0.999  1.0
  O  O11  1  0.752  0.244  0.508  1.0
  O  O12  1  0.756  0.257  0.001  1.0
  O  O13  1  0.244  0.245  0.501  1.0
[/CIF]
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The material described by YV2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. Y(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form YO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra, edges with two equivalent Y(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with six equivalent Y(1)O6 octahedra and corners with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-60°. In the second V site, V(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form VO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, and edges with four equivalent Y(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Y(1), one V(1), and two equivalent V(2) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Y(1), one V(1), and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_YV2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.363
_cell_length_b   6.363
_cell_length_c   6.363
_cell_angle_alpha   120.961
_cell_angle_beta   117.993
_cell_angle_gamma   90.927
_symmetry_Int_Tables_number   1
_cell_volume   183.426
_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  0.000  0.500  0.500  1.0
  Y  Y1  1  0.500  0.500  0.000  1.0
  V  V2  1  0.377  0.127  0.250  1.0
  V  V3  1  0.623  0.873  0.750  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  0.763  0.756  0.008  1.0
  O  O7  1  0.248  0.756  0.492  1.0
  O  O8  1  0.756  0.755  0.499  1.0
  O  O9  1  0.237  0.244  0.992  1.0
  O  O10  1  0.244  0.743  0.999  1.0
  O  O11  1  0.752  0.244  0.508  1.0
  O  O12  1  0.756  0.257  0.001  1.0
  O  O13  1  0.244  0.245  0.501  1.0
[/CIF]
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