The compound described by NbOPO4 crystallizes in the orthorhombic Pnma space group. Nb(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) 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 33°. P(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-40°. There are four 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 bent 150 degrees geometry to two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Nb(1) and one P(1) atom. In the fourth O site, O(4) 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   6.558
_cell_length_b   7.527
_cell_length_c   7.662
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   378.220
_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  0.250  0.740  0.154  1.0
  Nb  Nb1  1  0.750  0.240  0.346  1.0
  Nb  Nb2  1  0.250  0.760  0.654  1.0
  Nb  Nb3  1  0.750  0.260  0.846  1.0
  P  P4  1  0.750  0.623  0.122  1.0
  P  P5  1  0.250  0.123  0.378  1.0
  P  P6  1  0.750  0.877  0.622  1.0
  P  P7  1  0.250  0.377  0.878  1.0
  O  O8  1  0.250  0.490  0.048  1.0
  O  O9  1  0.750  0.175  0.118  1.0
  O  O10  1  0.559  0.741  0.127  1.0
  O  O11  1  0.941  0.741  0.127  1.0
  O  O12  1  0.250  0.999  0.215  1.0
  O  O13  1  0.750  0.499  0.285  1.0
  O  O14  1  0.059  0.241  0.373  1.0
  O  O15  1  0.441  0.241  0.373  1.0
  O  O16  1  0.250  0.675  0.382  1.0
  O  O17  1  0.750  0.990  0.452  1.0
  O  O18  1  0.250  0.010  0.548  1.0
  O  O19  1  0.750  0.325  0.618  1.0
  O  O20  1  0.559  0.759  0.627  1.0
  O  O21  1  0.941  0.759  0.627  1.0
  O  O22  1  0.250  0.501  0.715  1.0
  O  O23  1  0.750  0.001  0.785  1.0
  O  O24  1  0.059  0.259  0.873  1.0
  O  O25  1  0.441  0.259  0.873  1.0
  O  O26  1  0.250  0.825  0.882  1.0
  O  O27  1  0.750  0.510  0.952  1.0
[/CIF]
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The compound described by NbOPO4 crystallizes in the orthorhombic Pnma space group. Nb(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) 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 33°. P(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-40°. There are four 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 bent 150 degrees geometry to two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Nb(1) and one P(1) atom. In the fourth O site, O(4) 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   6.558
_cell_length_b   7.527
_cell_length_c   7.662
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   378.220
_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  0.250  0.740  0.154  1.0
  Nb  Nb1  1  0.750  0.240  0.346  1.0
  Nb  Nb2  1  0.250  0.760  0.654  1.0
  Nb  Nb3  1  0.750  0.260  0.846  1.0
  P  P4  1  0.750  0.623  0.122  1.0
  P  P5  1  0.250  0.123  0.378  1.0
  P  P6  1  0.750  0.877  0.622  1.0
  P  P7  1  0.250  0.377  0.878  1.0
  O  O8  1  0.250  0.490  0.048  1.0
  O  O9  1  0.750  0.175  0.118  1.0
  O  O10  1  0.559  0.741  0.127  1.0
  O  O11  1  0.941  0.741  0.127  1.0
  O  O12  1  0.250  0.999  0.215  1.0
  O  O13  1  0.750  0.499  0.285  1.0
  O  O14  1  0.059  0.241  0.373  1.0
  O  O15  1  0.441  0.241  0.373  1.0
  O  O16  1  0.250  0.675  0.382  1.0
  O  O17  1  0.750  0.990  0.452  1.0
  O  O18  1  0.250  0.010  0.548  1.0
  O  O19  1  0.750  0.325  0.618  1.0
  O  O20  1  0.559  0.759  0.627  1.0
  O  O21  1  0.941  0.759  0.627  1.0
  O  O22  1  0.250  0.501  0.715  1.0
  O  O23  1  0.750  0.001  0.785  1.0
  O  O24  1  0.059  0.259  0.873  1.0
  O  O25  1  0.441  0.259  0.873  1.0
  O  O26  1  0.250  0.825  0.882  1.0
  O  O27  1  0.750  0.510  0.952  1.0
[/CIF]
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