The structure described by CeVO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Ce(1) is bonded in a 8-coordinate geometry to two equivalent O(2) and six equivalent O(1) atoms. V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 29-32°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ce(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded to two equivalent Ce(1) and two equivalent V(1) atoms to form distorted corner-sharing OCe2V2 tetrahedra. is represented by the CIF file [CIF]
data_CeVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.483
_cell_length_b   5.646
_cell_length_c   7.694
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   238.208
_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
  Ce  Ce0  1  0.509  0.552  0.250  1.0
  Ce  Ce1  1  0.009  0.948  0.750  1.0
  Ce  Ce2  1  0.491  0.448  0.750  1.0
  Ce  Ce3  1  0.991  0.052  0.250  1.0
  V  V4  1  0.000  0.500  0.500  1.0
  V  V5  1  0.500  0.000  0.500  1.0
  V  V6  1  0.000  0.500  0.000  1.0
  V  V7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.195  0.196  0.546  1.0
  O  O9  1  0.695  0.304  0.454  1.0
  O  O10  1  0.805  0.804  0.454  1.0
  O  O11  1  0.305  0.696  0.546  1.0
  O  O12  1  0.805  0.804  0.046  1.0
  O  O13  1  0.305  0.696  0.954  1.0
  O  O14  1  0.195  0.196  0.954  1.0
  O  O15  1  0.695  0.304  0.046  1.0
  O  O16  1  0.088  0.473  0.250  1.0
  O  O17  1  0.588  0.027  0.750  1.0
  O  O18  1  0.912  0.527  0.750  1.0
  O  O19  1  0.412  0.973  0.250  1.0
[/CIF]
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The structure described by CeVO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Ce(1) is bonded in a 8-coordinate geometry to two equivalent O(2) and six equivalent O(1) atoms. V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 29-32°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ce(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded to two equivalent Ce(1) and two equivalent V(1) atoms to form distorted corner-sharing OCe2V2 tetrahedra. is represented by the CIF file [CIF]
data_CeVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.483
_cell_length_b   5.646
_cell_length_c   7.694
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   238.208
_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
  Ce  Ce0  1  0.509  0.552  0.250  1.0
  Ce  Ce1  1  0.009  0.948  0.750  1.0
  Ce  Ce2  1  0.491  0.448  0.750  1.0
  Ce  Ce3  1  0.991  0.052  0.250  1.0
  V  V4  1  0.000  0.500  0.500  1.0
  V  V5  1  0.500  0.000  0.500  1.0
  V  V6  1  0.000  0.500  0.000  1.0
  V  V7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.195  0.196  0.546  1.0
  O  O9  1  0.695  0.304  0.454  1.0
  O  O10  1  0.805  0.804  0.454  1.0
  O  O11  1  0.305  0.696  0.546  1.0
  O  O12  1  0.805  0.804  0.046  1.0
  O  O13  1  0.305  0.696  0.954  1.0
  O  O14  1  0.195  0.196  0.954  1.0
  O  O15  1  0.695  0.304  0.046  1.0
  O  O16  1  0.088  0.473  0.250  1.0
  O  O17  1  0.588  0.027  0.750  1.0
  O  O18  1  0.912  0.527  0.750  1.0
  O  O19  1  0.412  0.973  0.250  1.0
[/CIF]
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