The crystal structure described by Mn3NiSn2(PO4)6 crystallizes in the trigonal R3 space group. 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 distorted MnO6 pentagonal pyramids that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Sn(1)O6 octahedra. In the second Mn site, Mn(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form distorted MnO6 pentagonal pyramids that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Sn(2)O6 octahedra. In the third Mn site, Mn(3) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form distorted MnO6 pentagonal pyramids that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Sn(2)O6 octahedra. Ni(1) is bonded to three equivalent O(3) and three equivalent O(6) atoms to form distorted NiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Sn(1)O6 octahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to three equivalent O(2) and three equivalent O(6) atoms to form distorted SnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a faceface with one Ni(1)O6 octahedra, and  a faceface with one Mn(1)O6 pentagonal pyramid. In the second Sn site, Sn(2) is bonded to three equivalent O(4) and three equivalent O(7) atoms to form distorted SnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a faceface with one Mn(2)O6 pentagonal pyramid, and  a faceface with one Mn(3)O6 pentagonal pyramid. 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 Ni(1)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra,  a cornercorner with one Sn(2)O6 octahedra,  a cornercorner with one Mn(1)O6 pentagonal pyramid,  a cornercorner with one Mn(2)O6 pentagonal pyramid, and  a cornercorner with one Mn(3)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 31-38°. 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 Ni(1)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra,  a cornercorner with one Sn(2)O6 octahedra,  a cornercorner with one Mn(1)O6 pentagonal pyramid,  a cornercorner with one Mn(2)O6 pentagonal pyramid, and  a cornercorner with one Mn(3)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 38-53°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one Sn(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(2), one Sn(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ni(1), one Sn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(3), one Sn(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(1) atom. is represented by the CIF card [CIF]
data_Mn3NiSn2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.571
_cell_length_b   8.571
_cell_length_c   8.571
_cell_angle_alpha   61.505
_cell_angle_beta   61.505
_cell_angle_gamma   61.505
_symmetry_Int_Tables_number   1
_cell_volume   460.247
_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  0.149  0.149  0.149  1.0
  Mn  Mn1  1  0.349  0.349  0.349  1.0
  Mn  Mn2  1  0.651  0.651  0.651  1.0
  Ni  Ni3  1  0.852  0.852  0.852  1.0
  Sn  Sn4  1  0.999  0.999  0.999  1.0
  Sn  Sn5  1  0.499  0.499  0.499  1.0
  P  P6  1  0.453  0.752  0.048  1.0
  P  P7  1  0.552  0.249  0.949  1.0
  P  P8  1  0.949  0.552  0.249  1.0
  P  P9  1  0.249  0.949  0.552  1.0
  P  P10  1  0.752  0.048  0.453  1.0
  P  P11  1  0.048  0.453  0.752  1.0
  O  O12  1  0.324  0.096  0.514  1.0
  O  O13  1  0.514  0.324  0.096  1.0
  O  O14  1  0.904  0.067  0.248  1.0
  O  O15  1  0.096  0.514  0.324  1.0
  O  O16  1  0.824  0.008  0.601  1.0
  O  O17  1  0.598  0.252  0.433  1.0
  O  O18  1  0.067  0.248  0.904  1.0
  O  O19  1  0.252  0.433  0.598  1.0
  O  O20  1  0.400  0.181  0.986  1.0
  O  O21  1  0.433  0.598  0.252  1.0
  O  O22  1  0.753  0.096  0.930  1.0
  O  O23  1  0.986  0.400  0.181  1.0
  O  O24  1  0.008  0.601  0.824  1.0
  O  O25  1  0.248  0.904  0.067  1.0
  O  O26  1  0.569  0.403  0.746  1.0
  O  O27  1  0.601  0.824  0.008  1.0
  O  O28  1  0.746  0.569  0.403  1.0
  O  O29  1  0.930  0.753  0.096  1.0
  O  O30  1  0.403  0.746  0.569  1.0
  O  O31  1  0.181  0.986  0.400  1.0
  O  O32  1  0.901  0.485  0.679  1.0
  O  O33  1  0.096  0.930  0.753  1.0
  O  O34  1  0.485  0.679  0.901  1.0
  O  O35  1  0.679  0.901  0.485  1.0
[/CIF]
.
The crystal structure described by Mn3NiSn2(PO4)6 crystallizes in the trigonal R3 space group. 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 distorted MnO6 pentagonal pyramids that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Sn(1)O6 octahedra. In the second Mn site, Mn(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form distorted MnO6 pentagonal pyramids that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Sn(2)O6 octahedra. In the third Mn site, Mn(3) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form distorted MnO6 pentagonal pyramids that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Sn(2)O6 octahedra. Ni(1) is bonded to three equivalent O(3) and three equivalent O(6) atoms to form distorted NiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Sn(1)O6 octahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to three equivalent O(2) and three equivalent O(6) atoms to form distorted SnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a faceface with one Ni(1)O6 octahedra, and  a faceface with one Mn(1)O6 pentagonal pyramid. In the second Sn site, Sn(2) is bonded to three equivalent O(4) and three equivalent O(7) atoms to form distorted SnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a faceface with one Mn(2)O6 pentagonal pyramid, and  a faceface with one Mn(3)O6 pentagonal pyramid. 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 Ni(1)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra,  a cornercorner with one Sn(2)O6 octahedra,  a cornercorner with one Mn(1)O6 pentagonal pyramid,  a cornercorner with one Mn(2)O6 pentagonal pyramid, and  a cornercorner with one Mn(3)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 31-38°. 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 Ni(1)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra,  a cornercorner with one Sn(2)O6 octahedra,  a cornercorner with one Mn(1)O6 pentagonal pyramid,  a cornercorner with one Mn(2)O6 pentagonal pyramid, and  a cornercorner with one Mn(3)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 38-53°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one Sn(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(2), one Sn(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ni(1), one Sn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(3), one Sn(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(1) atom. is represented by the CIF card [CIF]
data_Mn3NiSn2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.571
_cell_length_b   8.571
_cell_length_c   8.571
_cell_angle_alpha   61.505
_cell_angle_beta   61.505
_cell_angle_gamma   61.505
_symmetry_Int_Tables_number   1
_cell_volume   460.247
_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  0.149  0.149  0.149  1.0
  Mn  Mn1  1  0.349  0.349  0.349  1.0
  Mn  Mn2  1  0.651  0.651  0.651  1.0
  Ni  Ni3  1  0.852  0.852  0.852  1.0
  Sn  Sn4  1  0.999  0.999  0.999  1.0
  Sn  Sn5  1  0.499  0.499  0.499  1.0
  P  P6  1  0.453  0.752  0.048  1.0
  P  P7  1  0.552  0.249  0.949  1.0
  P  P8  1  0.949  0.552  0.249  1.0
  P  P9  1  0.249  0.949  0.552  1.0
  P  P10  1  0.752  0.048  0.453  1.0
  P  P11  1  0.048  0.453  0.752  1.0
  O  O12  1  0.324  0.096  0.514  1.0
  O  O13  1  0.514  0.324  0.096  1.0
  O  O14  1  0.904  0.067  0.248  1.0
  O  O15  1  0.096  0.514  0.324  1.0
  O  O16  1  0.824  0.008  0.601  1.0
  O  O17  1  0.598  0.252  0.433  1.0
  O  O18  1  0.067  0.248  0.904  1.0
  O  O19  1  0.252  0.433  0.598  1.0
  O  O20  1  0.400  0.181  0.986  1.0
  O  O21  1  0.433  0.598  0.252  1.0
  O  O22  1  0.753  0.096  0.930  1.0
  O  O23  1  0.986  0.400  0.181  1.0
  O  O24  1  0.008  0.601  0.824  1.0
  O  O25  1  0.248  0.904  0.067  1.0
  O  O26  1  0.569  0.403  0.746  1.0
  O  O27  1  0.601  0.824  0.008  1.0
  O  O28  1  0.746  0.569  0.403  1.0
  O  O29  1  0.930  0.753  0.096  1.0
  O  O30  1  0.403  0.746  0.569  1.0
  O  O31  1  0.181  0.986  0.400  1.0
  O  O32  1  0.901  0.485  0.679  1.0
  O  O33  1  0.096  0.930  0.753  1.0
  O  O34  1  0.485  0.679  0.901  1.0
  O  O35  1  0.679  0.901  0.485  1.0
[/CIF]
.