The crystal structure described by UNbO5 crystallizes in the orthorhombic Pcca space group. U(1) is bonded to one O(2), two equivalent O(4), and four equivalent O(1) atoms to form UO7 pentagonal bipyramids that share corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent U(1)O7 pentagonal bipyramids, edges with two equivalent Nb(1)O6 octahedra, and edges with two equivalent U(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 36°. Nb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted NbO6 octahedra that share corners with four equivalent Nb(1)O6 octahedra, corners with two equivalent U(1)O7 pentagonal bipyramids, and edges with two equivalent U(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 0-34°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent U(1) and one Nb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one U(1) and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a linear geometry to two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent U(1) atoms. is represented by the CIF file [CIF]
data_UNbO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.105
_cell_length_b   12.973
_cell_length_c   7.492
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   398.984
_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
  U  U0  1  0.000  0.229  0.750  1.0
  U  U1  1  0.000  0.271  0.250  1.0
  U  U2  1  0.000  0.729  0.750  1.0
  U  U3  1  0.000  0.771  0.250  1.0
  Nb  Nb4  1  0.083  0.000  0.500  1.0
  Nb  Nb5  1  0.083  0.500  0.000  1.0
  Nb  Nb6  1  0.917  0.000  0.000  1.0
  Nb  Nb7  1  0.917  0.500  0.500  1.0
  O  O8  1  0.987  0.153  0.045  1.0
  O  O9  1  0.013  0.153  0.455  1.0
  O  O10  1  0.000  0.455  0.250  1.0
  O  O11  1  0.987  0.347  0.545  1.0
  O  O12  1  0.013  0.653  0.045  1.0
  O  O13  1  0.013  0.347  0.955  1.0
  O  O14  1  0.987  0.653  0.455  1.0
  O  O15  1  0.000  0.545  0.750  1.0
  O  O16  1  0.000  0.955  0.250  1.0
  O  O17  1  0.013  0.847  0.545  1.0
  O  O18  1  0.519  0.000  0.500  1.0
  O  O19  1  0.481  0.500  0.500  1.0
  O  O20  1  0.500  0.225  0.750  1.0
  O  O21  1  0.500  0.275  0.250  1.0
  O  O22  1  0.481  0.000  0.000  1.0
  O  O23  1  0.500  0.725  0.750  1.0
  O  O24  1  0.500  0.775  0.250  1.0
  O  O25  1  0.519  0.500  0.000  1.0
  O  O26  1  0.000  0.045  0.750  1.0
  O  O27  1  0.987  0.847  0.955  1.0
[/CIF]
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The crystal structure described by UNbO5 crystallizes in the orthorhombic Pcca space group. U(1) is bonded to one O(2), two equivalent O(4), and four equivalent O(1) atoms to form UO7 pentagonal bipyramids that share corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent U(1)O7 pentagonal bipyramids, edges with two equivalent Nb(1)O6 octahedra, and edges with two equivalent U(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 36°. Nb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted NbO6 octahedra that share corners with four equivalent Nb(1)O6 octahedra, corners with two equivalent U(1)O7 pentagonal bipyramids, and edges with two equivalent U(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 0-34°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent U(1) and one Nb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one U(1) and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a linear geometry to two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent U(1) atoms. is represented by the CIF file [CIF]
data_UNbO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.105
_cell_length_b   12.973
_cell_length_c   7.492
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   398.984
_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
  U  U0  1  0.000  0.229  0.750  1.0
  U  U1  1  0.000  0.271  0.250  1.0
  U  U2  1  0.000  0.729  0.750  1.0
  U  U3  1  0.000  0.771  0.250  1.0
  Nb  Nb4  1  0.083  0.000  0.500  1.0
  Nb  Nb5  1  0.083  0.500  0.000  1.0
  Nb  Nb6  1  0.917  0.000  0.000  1.0
  Nb  Nb7  1  0.917  0.500  0.500  1.0
  O  O8  1  0.987  0.153  0.045  1.0
  O  O9  1  0.013  0.153  0.455  1.0
  O  O10  1  0.000  0.455  0.250  1.0
  O  O11  1  0.987  0.347  0.545  1.0
  O  O12  1  0.013  0.653  0.045  1.0
  O  O13  1  0.013  0.347  0.955  1.0
  O  O14  1  0.987  0.653  0.455  1.0
  O  O15  1  0.000  0.545  0.750  1.0
  O  O16  1  0.000  0.955  0.250  1.0
  O  O17  1  0.013  0.847  0.545  1.0
  O  O18  1  0.519  0.000  0.500  1.0
  O  O19  1  0.481  0.500  0.500  1.0
  O  O20  1  0.500  0.225  0.750  1.0
  O  O21  1  0.500  0.275  0.250  1.0
  O  O22  1  0.481  0.000  0.000  1.0
  O  O23  1  0.500  0.725  0.750  1.0
  O  O24  1  0.500  0.775  0.250  1.0
  O  O25  1  0.519  0.500  0.000  1.0
  O  O26  1  0.000  0.045  0.750  1.0
  O  O27  1  0.987  0.847  0.955  1.0
[/CIF]
.