The structure described by LaVO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/c space group. La(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(3) atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 23-24°. In the second V site, V(2) 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 23-24°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent La(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent La(1) and two equivalent V(2) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent La(1) and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.624
_cell_length_b   7.707
_cell_length_c   5.571
_cell_angle_alpha   90.011
_cell_angle_beta   90.003
_cell_angle_gamma   89.840
_symmetry_Int_Tables_number   1
_cell_volume   241.482
_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
  La  La0  1  0.964  0.750  0.008  1.0
  La  La1  1  0.536  0.250  0.508  1.0
  La  La2  1  0.464  0.750  0.492  1.0
  La  La3  1  0.036  0.250  0.992  1.0
  V  V4  1  0.500  0.500  0.000  1.0
  V  V5  1  0.500  1.000  0.000  1.0
  V  V6  1  0.000  0.500  0.500  1.0
  V  V7  1  1.000  0.000  0.500  1.0
  O  O8  1  0.489  0.250  0.069  1.0
  O  O9  1  0.011  0.750  0.569  1.0
  O  O10  1  0.989  0.250  0.431  1.0
  O  O11  1  0.511  0.750  0.931  1.0
  O  O12  1  0.208  0.962  0.216  1.0
  O  O13  1  0.292  0.038  0.716  1.0
  O  O14  1  0.717  0.538  0.291  1.0
  O  O15  1  0.783  0.462  0.791  1.0
  O  O16  1  0.792  0.038  0.784  1.0
  O  O17  1  0.708  0.962  0.284  1.0
  O  O18  1  0.283  0.462  0.709  1.0
  O  O19  1  0.217  0.538  0.209  1.0
[/CIF]
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The structure described by LaVO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/c space group. La(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(3) atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 23-24°. In the second V site, V(2) 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 23-24°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent La(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent La(1) and two equivalent V(2) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent La(1) and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.624
_cell_length_b   7.707
_cell_length_c   5.571
_cell_angle_alpha   90.011
_cell_angle_beta   90.003
_cell_angle_gamma   89.840
_symmetry_Int_Tables_number   1
_cell_volume   241.482
_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
  La  La0  1  0.964  0.750  0.008  1.0
  La  La1  1  0.536  0.250  0.508  1.0
  La  La2  1  0.464  0.750  0.492  1.0
  La  La3  1  0.036  0.250  0.992  1.0
  V  V4  1  0.500  0.500  0.000  1.0
  V  V5  1  0.500  1.000  0.000  1.0
  V  V6  1  0.000  0.500  0.500  1.0
  V  V7  1  1.000  0.000  0.500  1.0
  O  O8  1  0.489  0.250  0.069  1.0
  O  O9  1  0.011  0.750  0.569  1.0
  O  O10  1  0.989  0.250  0.431  1.0
  O  O11  1  0.511  0.750  0.931  1.0
  O  O12  1  0.208  0.962  0.216  1.0
  O  O13  1  0.292  0.038  0.716  1.0
  O  O14  1  0.717  0.538  0.291  1.0
  O  O15  1  0.783  0.462  0.791  1.0
  O  O16  1  0.792  0.038  0.784  1.0
  O  O17  1  0.708  0.962  0.284  1.0
  O  O18  1  0.283  0.462  0.709  1.0
  O  O19  1  0.217  0.538  0.209  1.0
[/CIF]
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