The compound described by YVO3 is (Cubic) Perovskite structured and crystallizes in the tetragonal P4/mmm space group. Y(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form YO12 cuboctahedra that share corners with twelve equivalent Y(1)O12 cuboctahedra, faces with six equivalent Y(1)O12 cuboctahedra, and faces with eight equivalent V(1)O6 octahedra. 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 V(1)O6 octahedra and faces with eight equivalent Y(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Y(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded to four equivalent Y(1) and two equivalent V(1) atoms to form a mixture of distorted edge and corner-sharing OY4V2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_YVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.863
_cell_length_b   3.863
_cell_length_c   3.996
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   59.631
_cell_formula_units_Z   1
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  0.000  0.000  1.0
  V  V1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.000  0.500  0.500  1.0
  O  O3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.500  0.500  0.000  1.0
[/CIF]
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The compound described by YVO3 is (Cubic) Perovskite structured and crystallizes in the tetragonal P4/mmm space group. Y(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form YO12 cuboctahedra that share corners with twelve equivalent Y(1)O12 cuboctahedra, faces with six equivalent Y(1)O12 cuboctahedra, and faces with eight equivalent V(1)O6 octahedra. 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 V(1)O6 octahedra and faces with eight equivalent Y(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Y(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded to four equivalent Y(1) and two equivalent V(1) atoms to form a mixture of distorted edge and corner-sharing OY4V2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_YVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.863
_cell_length_b   3.863
_cell_length_c   3.996
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   59.631
_cell_formula_units_Z   1
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  0.000  0.000  1.0
  V  V1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.000  0.500  0.500  1.0
  O  O3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.500  0.500  0.000  1.0
[/CIF]
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