The structure described by NbOPO4 crystallizes in the tetragonal P4/n space group. Nb(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. P(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Nb(1) and one P(1) atom. is represented by the CIF card [CIF]
data_NbPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.492
_cell_length_b   6.492
_cell_length_c   4.267
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   179.825
_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
  Nb  Nb0  1  0.500  0.000  0.222  1.0
  Nb  Nb1  1  0.000  0.500  0.778  1.0
  P  P2  1  0.500  0.500  0.500  1.0
  P  P3  1  0.000  0.000  0.500  1.0
  O  O4  1  0.500  0.000  0.806  1.0
  O  O5  1  0.000  0.500  0.194  1.0
  O  O6  1  0.021  0.806  0.706  1.0
  O  O7  1  0.979  0.194  0.706  1.0
  O  O8  1  0.694  0.521  0.706  1.0
  O  O9  1  0.306  0.479  0.706  1.0
  O  O10  1  0.479  0.694  0.294  1.0
  O  O11  1  0.521  0.306  0.294  1.0
  O  O12  1  0.806  0.979  0.294  1.0
  O  O13  1  0.194  0.021  0.294  1.0
[/CIF]
.
The structure described by NbOPO4 crystallizes in the tetragonal P4/n space group. Nb(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. P(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Nb(1) and one P(1) atom. is represented by the CIF card [CIF]
data_NbPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.492
_cell_length_b   6.492
_cell_length_c   4.267
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   179.825
_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
  Nb  Nb0  1  0.500  0.000  0.222  1.0
  Nb  Nb1  1  0.000  0.500  0.778  1.0
  P  P2  1  0.500  0.500  0.500  1.0
  P  P3  1  0.000  0.000  0.500  1.0
  O  O4  1  0.500  0.000  0.806  1.0
  O  O5  1  0.000  0.500  0.194  1.0
  O  O6  1  0.021  0.806  0.706  1.0
  O  O7  1  0.979  0.194  0.706  1.0
  O  O8  1  0.694  0.521  0.706  1.0
  O  O9  1  0.306  0.479  0.706  1.0
  O  O10  1  0.479  0.694  0.294  1.0
  O  O11  1  0.521  0.306  0.294  1.0
  O  O12  1  0.806  0.979  0.294  1.0
  O  O13  1  0.194  0.021  0.294  1.0
[/CIF]
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