The compound described by NdVO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. 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 29-30°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Nd(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Nd(1) and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.447
_cell_length_b   5.680
_cell_length_c   7.712
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   238.607
_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
  Nd  Nd0  1  0.987  0.055  0.250  1.0
  Nd  Nd1  1  0.487  0.445  0.750  1.0
  Nd  Nd2  1  0.513  0.555  0.250  1.0
  Nd  Nd3  1  0.013  0.945  0.750  1.0
  V  V4  1  0.500  0.000  0.000  1.0
  V  V5  1  0.000  0.500  0.000  1.0
  V  V6  1  0.000  0.500  0.500  1.0
  V  V7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.090  0.471  0.250  1.0
  O  O9  1  0.590  0.029  0.750  1.0
  O  O10  1  0.410  0.971  0.250  1.0
  O  O11  1  0.910  0.529  0.750  1.0
  O  O12  1  0.708  0.300  0.046  1.0
  O  O13  1  0.208  0.200  0.954  1.0
  O  O14  1  0.792  0.800  0.454  1.0
  O  O15  1  0.292  0.700  0.546  1.0
  O  O16  1  0.292  0.700  0.954  1.0
  O  O17  1  0.792  0.800  0.046  1.0
  O  O18  1  0.208  0.200  0.546  1.0
  O  O19  1  0.708  0.300  0.454  1.0
[/CIF]
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The compound described by NdVO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. 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 29-30°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Nd(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Nd(1) and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.447
_cell_length_b   5.680
_cell_length_c   7.712
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   238.607
_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
  Nd  Nd0  1  0.987  0.055  0.250  1.0
  Nd  Nd1  1  0.487  0.445  0.750  1.0
  Nd  Nd2  1  0.513  0.555  0.250  1.0
  Nd  Nd3  1  0.013  0.945  0.750  1.0
  V  V4  1  0.500  0.000  0.000  1.0
  V  V5  1  0.000  0.500  0.000  1.0
  V  V6  1  0.000  0.500  0.500  1.0
  V  V7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.090  0.471  0.250  1.0
  O  O9  1  0.590  0.029  0.750  1.0
  O  O10  1  0.410  0.971  0.250  1.0
  O  O11  1  0.910  0.529  0.750  1.0
  O  O12  1  0.708  0.300  0.046  1.0
  O  O13  1  0.208  0.200  0.954  1.0
  O  O14  1  0.792  0.800  0.454  1.0
  O  O15  1  0.292  0.700  0.546  1.0
  O  O16  1  0.292  0.700  0.954  1.0
  O  O17  1  0.792  0.800  0.046  1.0
  O  O18  1  0.208  0.200  0.546  1.0
  O  O19  1  0.708  0.300  0.454  1.0
[/CIF]
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