The crystal structure described by PrNbO4 crystallizes in the monoclinic C2/c space group. Pr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Nb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted edge-sharing NbO6 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Pr(1) and one Nb(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Pr(1) and two equivalent Nb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrNbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.229
_cell_length_b   5.519
_cell_length_c   6.802
_cell_angle_alpha   112.334
_cell_angle_beta   110.943
_cell_angle_gamma   93.832
_symmetry_Int_Tables_number   1
_cell_volume   164.854
_cell_formula_units_Z   2
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  0.879  0.129  0.758  1.0
  Pr  Pr1  1  0.121  0.871  0.242  1.0
  Nb  Nb2  1  0.356  0.606  0.712  1.0
  Nb  Nb3  1  0.644  0.394  0.288  1.0
  O  O4  1  0.300  0.141  0.085  1.0
  O  O5  1  0.785  0.445  0.085  1.0
  O  O6  1  0.700  0.859  0.915  1.0
  O  O7  1  0.215  0.555  0.915  1.0
  O  O8  1  0.520  0.709  0.435  1.0
  O  O9  1  0.915  0.226  0.435  1.0
  O  O10  1  0.480  0.291  0.565  1.0
  O  O11  1  0.085  0.774  0.565  1.0
[/CIF]
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The crystal structure described by PrNbO4 crystallizes in the monoclinic C2/c space group. Pr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Nb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted edge-sharing NbO6 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Pr(1) and one Nb(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Pr(1) and two equivalent Nb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrNbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.229
_cell_length_b   5.519
_cell_length_c   6.802
_cell_angle_alpha   112.334
_cell_angle_beta   110.943
_cell_angle_gamma   93.832
_symmetry_Int_Tables_number   1
_cell_volume   164.854
_cell_formula_units_Z   2
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  0.879  0.129  0.758  1.0
  Pr  Pr1  1  0.121  0.871  0.242  1.0
  Nb  Nb2  1  0.356  0.606  0.712  1.0
  Nb  Nb3  1  0.644  0.394  0.288  1.0
  O  O4  1  0.300  0.141  0.085  1.0
  O  O5  1  0.785  0.445  0.085  1.0
  O  O6  1  0.700  0.859  0.915  1.0
  O  O7  1  0.215  0.555  0.915  1.0
  O  O8  1  0.520  0.709  0.435  1.0
  O  O9  1  0.915  0.226  0.435  1.0
  O  O10  1  0.480  0.291  0.565  1.0
  O  O11  1  0.085  0.774  0.565  1.0
[/CIF]
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