The crystal structure described by Nb2P3O12 crystallizes in the trigonal R-3c space group. Nb(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form NbO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-28°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a bent 150 degrees geometry to one Nb(1) and one P(1) atom. In the second O site, O(1) 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_Nb2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.944
_cell_length_b   8.944
_cell_length_c   8.944
_cell_angle_alpha   59.059
_cell_angle_beta   59.059
_cell_angle_gamma   59.059
_symmetry_Int_Tables_number   1
_cell_volume   495.039
_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  0.141  0.141  0.141  1.0
  Nb  Nb1  1  0.359  0.359  0.359  1.0
  Nb  Nb2  1  0.859  0.859  0.859  1.0
  Nb  Nb3  1  0.641  0.641  0.641  1.0
  P  P4  1  0.250  0.534  0.966  1.0
  P  P5  1  0.966  0.250  0.534  1.0
  P  P6  1  0.534  0.966  0.250  1.0
  P  P7  1  0.750  0.466  0.034  1.0
  P  P8  1  0.034  0.750  0.466  1.0
  P  P9  1  0.466  0.034  0.750  1.0
  O  O10  1  0.918  0.292  0.061  1.0
  O  O11  1  0.061  0.918  0.292  1.0
  O  O12  1  0.292  0.061  0.918  1.0
  O  O13  1  0.582  0.439  0.208  1.0
  O  O14  1  0.208  0.582  0.439  1.0
  O  O15  1  0.439  0.208  0.582  1.0
  O  O16  1  0.082  0.708  0.939  1.0
  O  O17  1  0.939  0.082  0.708  1.0
  O  O18  1  0.708  0.939  0.082  1.0
  O  O19  1  0.418  0.561  0.792  1.0
  O  O20  1  0.495  0.867  0.719  1.0
  O  O21  1  0.867  0.719  0.495  1.0
  O  O22  1  0.719  0.495  0.867  1.0
  O  O23  1  0.633  0.005  0.781  1.0
  O  O24  1  0.005  0.781  0.633  1.0
  O  O25  1  0.781  0.633  0.005  1.0
  O  O26  1  0.505  0.133  0.281  1.0
  O  O27  1  0.133  0.281  0.505  1.0
  O  O28  1  0.281  0.505  0.133  1.0
  O  O29  1  0.367  0.995  0.219  1.0
  O  O30  1  0.995  0.219  0.367  1.0
  O  O31  1  0.219  0.367  0.995  1.0
  O  O32  1  0.561  0.792  0.418  1.0
  O  O33  1  0.792  0.418  0.561  1.0
[/CIF]
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The crystal structure described by Nb2P3O12 crystallizes in the trigonal R-3c space group. Nb(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form NbO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-28°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a bent 150 degrees geometry to one Nb(1) and one P(1) atom. In the second O site, O(1) 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_Nb2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.944
_cell_length_b   8.944
_cell_length_c   8.944
_cell_angle_alpha   59.059
_cell_angle_beta   59.059
_cell_angle_gamma   59.059
_symmetry_Int_Tables_number   1
_cell_volume   495.039
_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  0.141  0.141  0.141  1.0
  Nb  Nb1  1  0.359  0.359  0.359  1.0
  Nb  Nb2  1  0.859  0.859  0.859  1.0
  Nb  Nb3  1  0.641  0.641  0.641  1.0
  P  P4  1  0.250  0.534  0.966  1.0
  P  P5  1  0.966  0.250  0.534  1.0
  P  P6  1  0.534  0.966  0.250  1.0
  P  P7  1  0.750  0.466  0.034  1.0
  P  P8  1  0.034  0.750  0.466  1.0
  P  P9  1  0.466  0.034  0.750  1.0
  O  O10  1  0.918  0.292  0.061  1.0
  O  O11  1  0.061  0.918  0.292  1.0
  O  O12  1  0.292  0.061  0.918  1.0
  O  O13  1  0.582  0.439  0.208  1.0
  O  O14  1  0.208  0.582  0.439  1.0
  O  O15  1  0.439  0.208  0.582  1.0
  O  O16  1  0.082  0.708  0.939  1.0
  O  O17  1  0.939  0.082  0.708  1.0
  O  O18  1  0.708  0.939  0.082  1.0
  O  O19  1  0.418  0.561  0.792  1.0
  O  O20  1  0.495  0.867  0.719  1.0
  O  O21  1  0.867  0.719  0.495  1.0
  O  O22  1  0.719  0.495  0.867  1.0
  O  O23  1  0.633  0.005  0.781  1.0
  O  O24  1  0.005  0.781  0.633  1.0
  O  O25  1  0.781  0.633  0.005  1.0
  O  O26  1  0.505  0.133  0.281  1.0
  O  O27  1  0.133  0.281  0.505  1.0
  O  O28  1  0.281  0.505  0.133  1.0
  O  O29  1  0.367  0.995  0.219  1.0
  O  O30  1  0.995  0.219  0.367  1.0
  O  O31  1  0.219  0.367  0.995  1.0
  O  O32  1  0.561  0.792  0.418  1.0
  O  O33  1  0.792  0.418  0.561  1.0
[/CIF]
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