The material described by NbMn3(PO4)6 crystallizes in the trigonal R3 space group. Nb(1) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form NbO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form MnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form MnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the third Mn site, Mn(3) is bonded to three equivalent O(7) and three equivalent O(8) 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 Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one Mn(3)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 Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-34°. There are eight inequivalent O sites. In the first O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the second O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(1) atom. In the third O site, O(4) is bonded in a bent 150 degrees geometry to one Nb(1) and one P(1) atom. In the fourth O site, O(5) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the fifth O site, O(6) is bonded in a bent 150 degrees geometry to one Nb(1) and one P(2) atom. In the sixth O site, O(7) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(2) atom. In the seventh O site, O(8) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(1) atom. In the eighth O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. is represented by the CIF file [CIF]
data_Mn3Nb(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.757
_cell_length_b   8.757
_cell_length_c   8.757
_cell_angle_alpha   58.312
_cell_angle_beta   58.312
_cell_angle_gamma   58.312
_symmetry_Int_Tables_number   1
_cell_volume   456.511
_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  0.145  0.145  0.145  1.0
  Mn  Mn1  1  0.357  0.357  0.357  1.0
  Mn  Mn2  1  0.645  0.645  0.645  1.0
  Nb  Nb3  1  0.861  0.861  0.861  1.0
  P  P4  1  0.750  0.037  0.458  1.0
  P  P5  1  0.037  0.458  0.750  1.0
  P  P6  1  0.458  0.750  0.037  1.0
  P  P7  1  0.523  0.264  0.968  1.0
  P  P8  1  0.968  0.523  0.264  1.0
  P  P9  1  0.264  0.968  0.523  1.0
  O  O10  1  0.279  0.142  0.507  1.0
  O  O11  1  0.507  0.279  0.142  1.0
  O  O12  1  0.926  0.062  0.276  1.0
  O  O13  1  0.142  0.507  0.279  1.0
  O  O14  1  0.575  0.220  0.436  1.0
  O  O15  1  0.778  0.007  0.633  1.0
  O  O16  1  0.062  0.276  0.926  1.0
  O  O17  1  0.220  0.436  0.575  1.0
  O  O18  1  0.436  0.575  0.220  1.0
  O  O19  1  0.355  0.232  0.989  1.0
  O  O20  1  0.707  0.086  0.940  1.0
  O  O21  1  0.989  0.355  0.232  1.0
  O  O22  1  0.007  0.633  0.778  1.0
  O  O23  1  0.276  0.926  0.062  1.0
  O  O24  1  0.633  0.778  0.007  1.0
  O  O25  1  0.550  0.435  0.784  1.0
  O  O26  1  0.784  0.550  0.435  1.0
  O  O27  1  0.940  0.707  0.086  1.0
  O  O28  1  0.232  0.989  0.355  1.0
  O  O29  1  0.435  0.784  0.550  1.0
  O  O30  1  0.861  0.485  0.727  1.0
  O  O31  1  0.086  0.940  0.707  1.0
  O  O32  1  0.485  0.727  0.861  1.0
  O  O33  1  0.727  0.861  0.485  1.0
[/CIF]
.
The material described by NbMn3(PO4)6 crystallizes in the trigonal R3 space group. Nb(1) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form NbO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form MnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form MnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the third Mn site, Mn(3) is bonded to three equivalent O(7) and three equivalent O(8) 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 Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one Mn(3)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 Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-34°. There are eight inequivalent O sites. In the first O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the second O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(1) atom. In the third O site, O(4) is bonded in a bent 150 degrees geometry to one Nb(1) and one P(1) atom. In the fourth O site, O(5) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the fifth O site, O(6) is bonded in a bent 150 degrees geometry to one Nb(1) and one P(2) atom. In the sixth O site, O(7) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(2) atom. In the seventh O site, O(8) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(1) atom. In the eighth O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. is represented by the CIF file [CIF]
data_Mn3Nb(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.757
_cell_length_b   8.757
_cell_length_c   8.757
_cell_angle_alpha   58.312
_cell_angle_beta   58.312
_cell_angle_gamma   58.312
_symmetry_Int_Tables_number   1
_cell_volume   456.511
_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  0.145  0.145  0.145  1.0
  Mn  Mn1  1  0.357  0.357  0.357  1.0
  Mn  Mn2  1  0.645  0.645  0.645  1.0
  Nb  Nb3  1  0.861  0.861  0.861  1.0
  P  P4  1  0.750  0.037  0.458  1.0
  P  P5  1  0.037  0.458  0.750  1.0
  P  P6  1  0.458  0.750  0.037  1.0
  P  P7  1  0.523  0.264  0.968  1.0
  P  P8  1  0.968  0.523  0.264  1.0
  P  P9  1  0.264  0.968  0.523  1.0
  O  O10  1  0.279  0.142  0.507  1.0
  O  O11  1  0.507  0.279  0.142  1.0
  O  O12  1  0.926  0.062  0.276  1.0
  O  O13  1  0.142  0.507  0.279  1.0
  O  O14  1  0.575  0.220  0.436  1.0
  O  O15  1  0.778  0.007  0.633  1.0
  O  O16  1  0.062  0.276  0.926  1.0
  O  O17  1  0.220  0.436  0.575  1.0
  O  O18  1  0.436  0.575  0.220  1.0
  O  O19  1  0.355  0.232  0.989  1.0
  O  O20  1  0.707  0.086  0.940  1.0
  O  O21  1  0.989  0.355  0.232  1.0
  O  O22  1  0.007  0.633  0.778  1.0
  O  O23  1  0.276  0.926  0.062  1.0
  O  O24  1  0.633  0.778  0.007  1.0
  O  O25  1  0.550  0.435  0.784  1.0
  O  O26  1  0.784  0.550  0.435  1.0
  O  O27  1  0.940  0.707  0.086  1.0
  O  O28  1  0.232  0.989  0.355  1.0
  O  O29  1  0.435  0.784  0.550  1.0
  O  O30  1  0.861  0.485  0.727  1.0
  O  O31  1  0.086  0.940  0.707  1.0
  O  O32  1  0.485  0.727  0.861  1.0
  O  O33  1  0.727  0.861  0.485  1.0
[/CIF]
.