The crystal structure described by Nb3Sb(PO4)6 crystallizes in the trigonal R3 space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form NbO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the second Nb site, Nb(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form NbO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the third Nb site, Nb(3) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form NbO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. Sb(1) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form SbO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra, and  a cornercorner with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-33°. In the second P site, P(2) is bonded to one O(1), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra, and  a cornercorner with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-37°. There are eight 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(3) is bonded in a bent 150 degrees geometry to one Nb(2) and one P(1) atom. In the third O site, O(4) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(1) atom. In the fourth O site, O(5) is bonded in a bent 150 degrees geometry to one Nb(1) and one P(2) atom. In the fifth O site, O(6) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(2) atom. In the sixth O site, O(7) is bonded in a bent 150 degrees geometry to one Nb(3) and one P(2) atom. In the seventh O site, O(8) is bonded in a bent 150 degrees geometry to one Nb(3) and one P(1) atom. In the eighth O site, O(1) is bonded in a linear geometry to one Nb(2) and one P(2) atom. is represented by the CIF file [CIF]
data_Nb3Sb(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.129
_cell_length_b   9.129
_cell_length_c   9.129
_cell_angle_alpha   58.528
_cell_angle_beta   58.528
_cell_angle_gamma   58.528
_symmetry_Int_Tables_number   1
_cell_volume   519.914
_cell_formula_units_Z   1
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  0.859  0.859  0.859  1.0
  Nb  Nb1  1  0.643  0.643  0.643  1.0
  Nb  Nb2  1  0.359  0.359  0.359  1.0
  Sb  Sb3  1  0.140  0.140  0.140  1.0
  P  P4  1  0.541  0.963  0.249  1.0
  P  P5  1  0.249  0.541  0.963  1.0
  P  P6  1  0.963  0.249  0.541  1.0
  P  P7  1  0.034  0.743  0.471  1.0
  P  P8  1  0.743  0.471  0.034  1.0
  P  P9  1  0.471  0.034  0.743  1.0
  O  O10  1  0.516  0.871  0.698  1.0
  O  O11  1  0.871  0.698  0.516  1.0
  O  O12  1  0.717  0.938  0.077  1.0
  O  O13  1  0.698  0.516  0.871  1.0
  O  O14  1  0.587  0.790  0.415  1.0
  O  O15  1  0.383  0.967  0.233  1.0
  O  O16  1  0.077  0.717  0.938  1.0
  O  O17  1  0.415  0.587  0.790  1.0
  O  O18  1  0.790  0.415  0.587  1.0
  O  O19  1  0.003  0.779  0.636  1.0
  O  O20  1  0.053  0.901  0.293  1.0
  O  O21  1  0.779  0.636  0.003  1.0
  O  O22  1  0.233  0.383  0.967  1.0
  O  O23  1  0.938  0.077  0.717  1.0
  O  O24  1  0.967  0.233  0.383  1.0
  O  O25  1  0.208  0.568  0.449  1.0
  O  O26  1  0.568  0.449  0.208  1.0
  O  O27  1  0.901  0.293  0.053  1.0
  O  O28  1  0.636  0.003  0.779  1.0
  O  O29  1  0.449  0.208  0.568  1.0
  O  O30  1  0.277  0.503  0.136  1.0
  O  O31  1  0.293  0.053  0.901  1.0
  O  O32  1  0.136  0.277  0.503  1.0
  O  O33  1  0.503  0.136  0.277  1.0
[/CIF]
.
The crystal structure described by Nb3Sb(PO4)6 crystallizes in the trigonal R3 space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form NbO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the second Nb site, Nb(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form NbO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the third Nb site, Nb(3) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form NbO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. Sb(1) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form SbO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra, and  a cornercorner with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-33°. In the second P site, P(2) is bonded to one O(1), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra, and  a cornercorner with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-37°. There are eight 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(3) is bonded in a bent 150 degrees geometry to one Nb(2) and one P(1) atom. In the third O site, O(4) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(1) atom. In the fourth O site, O(5) is bonded in a bent 150 degrees geometry to one Nb(1) and one P(2) atom. In the fifth O site, O(6) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(2) atom. In the sixth O site, O(7) is bonded in a bent 150 degrees geometry to one Nb(3) and one P(2) atom. In the seventh O site, O(8) is bonded in a bent 150 degrees geometry to one Nb(3) and one P(1) atom. In the eighth O site, O(1) is bonded in a linear geometry to one Nb(2) and one P(2) atom. is represented by the CIF file [CIF]
data_Nb3Sb(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.129
_cell_length_b   9.129
_cell_length_c   9.129
_cell_angle_alpha   58.528
_cell_angle_beta   58.528
_cell_angle_gamma   58.528
_symmetry_Int_Tables_number   1
_cell_volume   519.914
_cell_formula_units_Z   1
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  0.859  0.859  0.859  1.0
  Nb  Nb1  1  0.643  0.643  0.643  1.0
  Nb  Nb2  1  0.359  0.359  0.359  1.0
  Sb  Sb3  1  0.140  0.140  0.140  1.0
  P  P4  1  0.541  0.963  0.249  1.0
  P  P5  1  0.249  0.541  0.963  1.0
  P  P6  1  0.963  0.249  0.541  1.0
  P  P7  1  0.034  0.743  0.471  1.0
  P  P8  1  0.743  0.471  0.034  1.0
  P  P9  1  0.471  0.034  0.743  1.0
  O  O10  1  0.516  0.871  0.698  1.0
  O  O11  1  0.871  0.698  0.516  1.0
  O  O12  1  0.717  0.938  0.077  1.0
  O  O13  1  0.698  0.516  0.871  1.0
  O  O14  1  0.587  0.790  0.415  1.0
  O  O15  1  0.383  0.967  0.233  1.0
  O  O16  1  0.077  0.717  0.938  1.0
  O  O17  1  0.415  0.587  0.790  1.0
  O  O18  1  0.790  0.415  0.587  1.0
  O  O19  1  0.003  0.779  0.636  1.0
  O  O20  1  0.053  0.901  0.293  1.0
  O  O21  1  0.779  0.636  0.003  1.0
  O  O22  1  0.233  0.383  0.967  1.0
  O  O23  1  0.938  0.077  0.717  1.0
  O  O24  1  0.967  0.233  0.383  1.0
  O  O25  1  0.208  0.568  0.449  1.0
  O  O26  1  0.568  0.449  0.208  1.0
  O  O27  1  0.901  0.293  0.053  1.0
  O  O28  1  0.636  0.003  0.779  1.0
  O  O29  1  0.449  0.208  0.568  1.0
  O  O30  1  0.277  0.503  0.136  1.0
  O  O31  1  0.293  0.053  0.901  1.0
  O  O32  1  0.136  0.277  0.503  1.0
  O  O33  1  0.503  0.136  0.277  1.0
[/CIF]
.