The crystal structure described by PrVO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Pr(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 are 26°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Pr(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Pr(1) and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.484
_cell_length_b   5.499
_cell_length_c   7.946
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   239.626
_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
  Pr  Pr0  1  0.007  0.459  0.250  1.0
  Pr  Pr1  1  0.993  0.541  0.750  1.0
  Pr  Pr2  1  0.507  0.041  0.750  1.0
  Pr  Pr3  1  0.493  0.959  0.250  1.0
  V  V4  1  0.000  0.000  0.000  1.0
  V  V5  1  0.500  0.500  0.000  1.0
  V  V6  1  0.000  0.000  0.500  1.0
  V  V7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.288  0.212  0.044  1.0
  O  O9  1  0.712  0.788  0.956  1.0
  O  O10  1  0.788  0.288  0.956  1.0
  O  O11  1  0.712  0.788  0.544  1.0
  O  O12  1  0.212  0.712  0.044  1.0
  O  O13  1  0.288  0.212  0.456  1.0
  O  O14  1  0.212  0.712  0.456  1.0
  O  O15  1  0.788  0.288  0.544  1.0
  O  O16  1  0.581  0.520  0.250  1.0
  O  O17  1  0.419  0.480  0.750  1.0
  O  O18  1  0.081  0.980  0.750  1.0
  O  O19  1  0.919  0.020  0.250  1.0
[/CIF]
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The crystal structure described by PrVO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Pr(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 are 26°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Pr(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Pr(1) and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.484
_cell_length_b   5.499
_cell_length_c   7.946
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   239.626
_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
  Pr  Pr0  1  0.007  0.459  0.250  1.0
  Pr  Pr1  1  0.993  0.541  0.750  1.0
  Pr  Pr2  1  0.507  0.041  0.750  1.0
  Pr  Pr3  1  0.493  0.959  0.250  1.0
  V  V4  1  0.000  0.000  0.000  1.0
  V  V5  1  0.500  0.500  0.000  1.0
  V  V6  1  0.000  0.000  0.500  1.0
  V  V7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.288  0.212  0.044  1.0
  O  O9  1  0.712  0.788  0.956  1.0
  O  O10  1  0.788  0.288  0.956  1.0
  O  O11  1  0.712  0.788  0.544  1.0
  O  O12  1  0.212  0.712  0.044  1.0
  O  O13  1  0.288  0.212  0.456  1.0
  O  O14  1  0.212  0.712  0.456  1.0
  O  O15  1  0.788  0.288  0.544  1.0
  O  O16  1  0.581  0.520  0.250  1.0
  O  O17  1  0.419  0.480  0.750  1.0
  O  O18  1  0.081  0.980  0.750  1.0
  O  O19  1  0.919  0.020  0.250  1.0
[/CIF]
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