The crystal structure described by NbOPO4 crystallizes in the orthorhombic Pna2_1 space group. Nb(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 10°. P(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-23°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Nb(1) and one P(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Nb(1) and one P(1) atom. In the third O site, O(3) is bonded in a linear geometry to one Nb(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent Nb(1) atoms. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Nb(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.383
_cell_length_b   6.746
_cell_length_c   11.383
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   413.364
_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
  Nb  Nb0  1  0.490  0.331  0.937  1.0
  Nb  Nb1  1  0.990  0.831  0.563  1.0
  Nb  Nb2  1  0.490  0.169  0.437  1.0
  Nb  Nb3  1  0.990  0.669  0.063  1.0
  P  P4  1  0.481  0.528  0.654  1.0
  P  P5  1  0.481  0.972  0.154  1.0
  P  P6  1  0.981  0.472  0.346  1.0
  P  P7  1  0.981  0.028  0.846  1.0
  O  O8  1  0.235  0.868  0.133  1.0
  O  O9  1  0.200  0.340  0.377  1.0
  O  O10  1  0.235  0.632  0.633  1.0
  O  O11  1  0.996  0.972  0.716  1.0
  O  O12  1  0.760  0.015  0.496  1.0
  O  O13  1  0.260  0.985  0.504  1.0
  O  O14  1  0.700  0.840  0.123  1.0
  O  O15  1  0.990  0.836  0.918  1.0
  O  O16  1  0.496  0.028  0.284  1.0
  O  O17  1  0.735  0.368  0.367  1.0
  O  O18  1  0.996  0.528  0.216  1.0
  O  O19  1  0.200  0.160  0.877  1.0
  O  O20  1  0.990  0.664  0.418  1.0
  O  O21  1  0.735  0.132  0.867  1.0
  O  O22  1  0.260  0.515  0.004  1.0
  O  O23  1  0.700  0.660  0.623  1.0
  O  O24  1  0.490  0.164  0.082  1.0
  O  O25  1  0.496  0.472  0.784  1.0
  O  O26  1  0.490  0.336  0.582  1.0
  O  O27  1  0.760  0.485  0.996  1.0
[/CIF]
.
The crystal structure described by NbOPO4 crystallizes in the orthorhombic Pna2_1 space group. Nb(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 10°. P(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-23°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Nb(1) and one P(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Nb(1) and one P(1) atom. In the third O site, O(3) is bonded in a linear geometry to one Nb(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent Nb(1) atoms. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Nb(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.383
_cell_length_b   6.746
_cell_length_c   11.383
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   413.364
_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
  Nb  Nb0  1  0.490  0.331  0.937  1.0
  Nb  Nb1  1  0.990  0.831  0.563  1.0
  Nb  Nb2  1  0.490  0.169  0.437  1.0
  Nb  Nb3  1  0.990  0.669  0.063  1.0
  P  P4  1  0.481  0.528  0.654  1.0
  P  P5  1  0.481  0.972  0.154  1.0
  P  P6  1  0.981  0.472  0.346  1.0
  P  P7  1  0.981  0.028  0.846  1.0
  O  O8  1  0.235  0.868  0.133  1.0
  O  O9  1  0.200  0.340  0.377  1.0
  O  O10  1  0.235  0.632  0.633  1.0
  O  O11  1  0.996  0.972  0.716  1.0
  O  O12  1  0.760  0.015  0.496  1.0
  O  O13  1  0.260  0.985  0.504  1.0
  O  O14  1  0.700  0.840  0.123  1.0
  O  O15  1  0.990  0.836  0.918  1.0
  O  O16  1  0.496  0.028  0.284  1.0
  O  O17  1  0.735  0.368  0.367  1.0
  O  O18  1  0.996  0.528  0.216  1.0
  O  O19  1  0.200  0.160  0.877  1.0
  O  O20  1  0.990  0.664  0.418  1.0
  O  O21  1  0.735  0.132  0.867  1.0
  O  O22  1  0.260  0.515  0.004  1.0
  O  O23  1  0.700  0.660  0.623  1.0
  O  O24  1  0.490  0.164  0.082  1.0
  O  O25  1  0.496  0.472  0.784  1.0
  O  O26  1  0.490  0.336  0.582  1.0
  O  O27  1  0.760  0.485  0.996  1.0
[/CIF]
.