The compound described by YVO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/c space group. Y(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 35-37°. In the second V site, V(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 36-37°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Y(1), one V(1), and one V(2) atom to form distorted corner-sharing OY2V2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Y(1) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Y(1) and two equivalent V(2) atoms. is represented by the CIF card [CIF]
data_YVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.274
_cell_length_b   5.660
_cell_length_c   7.513
_cell_angle_alpha   89.930
_cell_angle_beta   90.004
_cell_angle_gamma   90.003
_symmetry_Int_Tables_number   1
_cell_volume   224.273
_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  0.479  0.571  0.751  1.0
  Y  Y1  1  0.979  0.928  0.249  1.0
  Y  Y2  1  0.521  0.429  0.249  1.0
  Y  Y3  1  0.021  0.072  0.751  1.0
  V  V4  1  0.500  0.000  0.500  1.0
  V  V5  1  0.000  0.500  1.000  1.0
  V  V6  1  1.000  0.500  0.500  1.0
  V  V7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.889  0.461  0.750  1.0
  O  O9  1  0.389  0.039  0.250  1.0
  O  O10  1  0.111  0.539  0.250  1.0
  O  O11  1  0.611  0.961  0.750  1.0
  O  O12  1  0.807  0.189  0.444  1.0
  O  O13  1  0.307  0.311  0.556  1.0
  O  O14  1  0.193  0.811  0.556  1.0
  O  O15  1  0.693  0.689  0.444  1.0
  O  O16  1  0.183  0.801  0.943  1.0
  O  O17  1  0.683  0.699  0.057  1.0
  O  O18  1  0.817  0.199  0.057  1.0
  O  O19  1  0.317  0.301  0.943  1.0
[/CIF]
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The compound described by YVO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/c space group. Y(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 35-37°. In the second V site, V(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 36-37°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Y(1), one V(1), and one V(2) atom to form distorted corner-sharing OY2V2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Y(1) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Y(1) and two equivalent V(2) atoms. is represented by the CIF card [CIF]
data_YVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.274
_cell_length_b   5.660
_cell_length_c   7.513
_cell_angle_alpha   89.930
_cell_angle_beta   90.004
_cell_angle_gamma   90.003
_symmetry_Int_Tables_number   1
_cell_volume   224.273
_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  0.479  0.571  0.751  1.0
  Y  Y1  1  0.979  0.928  0.249  1.0
  Y  Y2  1  0.521  0.429  0.249  1.0
  Y  Y3  1  0.021  0.072  0.751  1.0
  V  V4  1  0.500  0.000  0.500  1.0
  V  V5  1  0.000  0.500  1.000  1.0
  V  V6  1  1.000  0.500  0.500  1.0
  V  V7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.889  0.461  0.750  1.0
  O  O9  1  0.389  0.039  0.250  1.0
  O  O10  1  0.111  0.539  0.250  1.0
  O  O11  1  0.611  0.961  0.750  1.0
  O  O12  1  0.807  0.189  0.444  1.0
  O  O13  1  0.307  0.311  0.556  1.0
  O  O14  1  0.193  0.811  0.556  1.0
  O  O15  1  0.693  0.689  0.444  1.0
  O  O16  1  0.183  0.801  0.943  1.0
  O  O17  1  0.683  0.699  0.057  1.0
  O  O18  1  0.817  0.199  0.057  1.0
  O  O19  1  0.317  0.301  0.943  1.0
[/CIF]
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