The material structure described by Nb3Mn(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. Mn(1) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form MnO6 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 Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-34°. 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 Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-34°. 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 Mn(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 Mn(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 bent 150 degrees geometry to one Nb(2) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnNb3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.918
_cell_length_b   8.918
_cell_length_c   8.918
_cell_angle_alpha   57.960
_cell_angle_beta   57.960
_cell_angle_gamma   57.960
_symmetry_Int_Tables_number   1
_cell_volume   478.039
_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
  Mn  Mn0  1  0.144  0.144  0.144  1.0
  Nb  Nb1  1  0.858  0.858  0.858  1.0
  Nb  Nb2  1  0.641  0.641  0.641  1.0
  Nb  Nb3  1  0.361  0.361  0.361  1.0
  P  P4  1  0.523  0.969  0.253  1.0
  P  P5  1  0.253  0.523  0.969  1.0
  P  P6  1  0.969  0.253  0.523  1.0
  P  P7  1  0.033  0.759  0.461  1.0
  P  P8  1  0.759  0.461  0.033  1.0
  P  P9  1  0.461  0.033  0.759  1.0
  O  O10  1  0.504  0.875  0.704  1.0
  O  O11  1  0.875  0.704  0.504  1.0
  O  O12  1  0.692  0.959  0.067  1.0
  O  O13  1  0.704  0.504  0.875  1.0
  O  O14  1  0.584  0.783  0.408  1.0
  O  O15  1  0.347  0.985  0.252  1.0
  O  O16  1  0.067  0.692  0.959  1.0
  O  O17  1  0.408  0.584  0.783  1.0
  O  O18  1  0.783  0.408  0.584  1.0
  O  O19  1  0.008  0.761  0.645  1.0
  O  O20  1  0.032  0.942  0.302  1.0
  O  O21  1  0.761  0.645  0.008  1.0
  O  O22  1  0.252  0.347  0.985  1.0
  O  O23  1  0.959  0.067  0.692  1.0
  O  O24  1  0.985  0.252  0.347  1.0
  O  O25  1  0.219  0.595  0.418  1.0
  O  O26  1  0.595  0.418  0.219  1.0
  O  O27  1  0.942  0.302  0.032  1.0
  O  O28  1  0.645  0.008  0.761  1.0
  O  O29  1  0.418  0.219  0.595  1.0
  O  O30  1  0.291  0.499  0.130  1.0
  O  O31  1  0.302  0.032  0.942  1.0
  O  O32  1  0.130  0.291  0.499  1.0
  O  O33  1  0.499  0.130  0.291  1.0
[/CIF]
.
The material structure described by Nb3Mn(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. Mn(1) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form MnO6 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 Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-34°. 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 Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-34°. 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 Mn(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 Mn(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 bent 150 degrees geometry to one Nb(2) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnNb3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.918
_cell_length_b   8.918
_cell_length_c   8.918
_cell_angle_alpha   57.960
_cell_angle_beta   57.960
_cell_angle_gamma   57.960
_symmetry_Int_Tables_number   1
_cell_volume   478.039
_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
  Mn  Mn0  1  0.144  0.144  0.144  1.0
  Nb  Nb1  1  0.858  0.858  0.858  1.0
  Nb  Nb2  1  0.641  0.641  0.641  1.0
  Nb  Nb3  1  0.361  0.361  0.361  1.0
  P  P4  1  0.523  0.969  0.253  1.0
  P  P5  1  0.253  0.523  0.969  1.0
  P  P6  1  0.969  0.253  0.523  1.0
  P  P7  1  0.033  0.759  0.461  1.0
  P  P8  1  0.759  0.461  0.033  1.0
  P  P9  1  0.461  0.033  0.759  1.0
  O  O10  1  0.504  0.875  0.704  1.0
  O  O11  1  0.875  0.704  0.504  1.0
  O  O12  1  0.692  0.959  0.067  1.0
  O  O13  1  0.704  0.504  0.875  1.0
  O  O14  1  0.584  0.783  0.408  1.0
  O  O15  1  0.347  0.985  0.252  1.0
  O  O16  1  0.067  0.692  0.959  1.0
  O  O17  1  0.408  0.584  0.783  1.0
  O  O18  1  0.783  0.408  0.584  1.0
  O  O19  1  0.008  0.761  0.645  1.0
  O  O20  1  0.032  0.942  0.302  1.0
  O  O21  1  0.761  0.645  0.008  1.0
  O  O22  1  0.252  0.347  0.985  1.0
  O  O23  1  0.959  0.067  0.692  1.0
  O  O24  1  0.985  0.252  0.347  1.0
  O  O25  1  0.219  0.595  0.418  1.0
  O  O26  1  0.595  0.418  0.219  1.0
  O  O27  1  0.942  0.302  0.032  1.0
  O  O28  1  0.645  0.008  0.761  1.0
  O  O29  1  0.418  0.219  0.595  1.0
  O  O30  1  0.291  0.499  0.130  1.0
  O  O31  1  0.302  0.032  0.942  1.0
  O  O32  1  0.130  0.291  0.499  1.0
  O  O33  1  0.499  0.130  0.291  1.0
[/CIF]
.