The crystal structure described by NiSn3(PO4)4 crystallizes in the monoclinic Pm space group. Ni(1) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(8) atoms to form distorted NiO6 pentagonal pyramids that share corners with four equivalent Sn(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-49°. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(3), one O(7), two equivalent O(11), and two equivalent O(5) atoms to form SnO6 pentagonal pyramids that share corners with four equivalent Sn(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-57°. In the second Sn site, Sn(2) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form SnO6 octahedra that share corners with four equivalent Ni(1)O6 pentagonal pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. In the third Sn site, Sn(3) is bonded to one O(1), one O(9), two equivalent O(11), and two equivalent O(5) atoms to form SnO6 octahedra that share corners with four equivalent Sn(1)O6 pentagonal pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one Sn(2)O6 octahedra,  a cornercorner with one Sn(3)O6 octahedra, corners with two equivalent Ni(1)O6 pentagonal pyramids, and  an edgeedge with one Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-45°. In the second P site, P(2) is bonded to one O(6), one O(9), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one Sn(2)O6 octahedra,  a cornercorner with one Sn(3)O6 octahedra, corners with two equivalent Sn(1)O6 pentagonal pyramids, and  an edgeedge with one Sn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-62°. In the third P site, P(3) is bonded to one O(4), one O(7), and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent Sn(2)O6 octahedra,  a cornercorner with one Ni(1)O6 pentagonal pyramid,  a cornercorner with one Sn(1)O6 pentagonal pyramid, and  an edgeedge with one Ni(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 54°. In the fourth P site, P(4) is bonded to one O(12), one O(3), and two equivalent O(11) atoms to form PO4 tetrahedra that share corners with two equivalent Sn(3)O6 octahedra,  a cornercorner with one Ni(1)O6 pentagonal pyramid,  a cornercorner with one Sn(1)O6 pentagonal pyramid, and  an edgeedge with one Sn(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 65°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Sn(3) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ni(1), one Sn(2), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Sn(1), one Sn(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Sn(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Sn(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ni(1), one Sn(2), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Sn(3) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Sn(2) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Sn(1), one Sn(3), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(4) atom. is represented by the CIF card [CIF]
data_NiSn3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.187
_cell_length_b   5.079
_cell_length_c   10.336
_cell_angle_alpha   89.724
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   324.794
_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
  Ni  Ni0  1  0.500  0.944  0.272  1.0
  Sn  Sn1  1  0.500  0.543  0.784  1.0
  Sn  Sn2  1  0.000  0.455  0.218  1.0
  Sn  Sn3  1  0.000  0.043  0.718  1.0
  P  P4  1  0.000  0.892  0.387  1.0
  P  P5  1  0.000  0.566  0.918  1.0
  P  P6  1  0.500  0.421  0.100  1.0
  P  P7  1  0.500  0.124  0.594  1.0
  O  O8  1  0.000  0.817  0.528  1.0
  O  O9  1  0.195  0.757  0.312  1.0
  O  O10  1  0.805  0.757  0.312  1.0
  O  O11  1  0.500  0.837  0.648  1.0
  O  O12  1  0.500  0.717  0.113  1.0
  O  O13  1  0.199  0.691  0.842  1.0
  O  O14  1  0.801  0.691  0.842  1.0
  O  O15  1  0.000  0.684  0.057  1.0
  O  O16  1  0.500  0.334  0.955  1.0
  O  O17  1  0.697  0.278  0.170  1.0
  O  O18  1  0.303  0.278  0.170  1.0
  O  O19  1  0.000  0.270  0.920  1.0
  O  O20  1  0.000  0.196  0.369  1.0
  O  O21  1  0.690  0.289  0.661  1.0
  O  O22  1  0.310  0.289  0.661  1.0
  O  O23  1  0.500  0.128  0.449  1.0
[/CIF]
.
The crystal structure described by NiSn3(PO4)4 crystallizes in the monoclinic Pm space group. Ni(1) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(8) atoms to form distorted NiO6 pentagonal pyramids that share corners with four equivalent Sn(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-49°. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(3), one O(7), two equivalent O(11), and two equivalent O(5) atoms to form SnO6 pentagonal pyramids that share corners with four equivalent Sn(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-57°. In the second Sn site, Sn(2) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form SnO6 octahedra that share corners with four equivalent Ni(1)O6 pentagonal pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. In the third Sn site, Sn(3) is bonded to one O(1), one O(9), two equivalent O(11), and two equivalent O(5) atoms to form SnO6 octahedra that share corners with four equivalent Sn(1)O6 pentagonal pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one Sn(2)O6 octahedra,  a cornercorner with one Sn(3)O6 octahedra, corners with two equivalent Ni(1)O6 pentagonal pyramids, and  an edgeedge with one Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-45°. In the second P site, P(2) is bonded to one O(6), one O(9), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one Sn(2)O6 octahedra,  a cornercorner with one Sn(3)O6 octahedra, corners with two equivalent Sn(1)O6 pentagonal pyramids, and  an edgeedge with one Sn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-62°. In the third P site, P(3) is bonded to one O(4), one O(7), and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent Sn(2)O6 octahedra,  a cornercorner with one Ni(1)O6 pentagonal pyramid,  a cornercorner with one Sn(1)O6 pentagonal pyramid, and  an edgeedge with one Ni(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 54°. In the fourth P site, P(4) is bonded to one O(12), one O(3), and two equivalent O(11) atoms to form PO4 tetrahedra that share corners with two equivalent Sn(3)O6 octahedra,  a cornercorner with one Ni(1)O6 pentagonal pyramid,  a cornercorner with one Sn(1)O6 pentagonal pyramid, and  an edgeedge with one Sn(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 65°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Sn(3) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ni(1), one Sn(2), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Sn(1), one Sn(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Sn(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Sn(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ni(1), one Sn(2), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Sn(3) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Sn(2) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Sn(1), one Sn(3), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(4) atom. is represented by the CIF card [CIF]
data_NiSn3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.187
_cell_length_b   5.079
_cell_length_c   10.336
_cell_angle_alpha   89.724
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   324.794
_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
  Ni  Ni0  1  0.500  0.944  0.272  1.0
  Sn  Sn1  1  0.500  0.543  0.784  1.0
  Sn  Sn2  1  0.000  0.455  0.218  1.0
  Sn  Sn3  1  0.000  0.043  0.718  1.0
  P  P4  1  0.000  0.892  0.387  1.0
  P  P5  1  0.000  0.566  0.918  1.0
  P  P6  1  0.500  0.421  0.100  1.0
  P  P7  1  0.500  0.124  0.594  1.0
  O  O8  1  0.000  0.817  0.528  1.0
  O  O9  1  0.195  0.757  0.312  1.0
  O  O10  1  0.805  0.757  0.312  1.0
  O  O11  1  0.500  0.837  0.648  1.0
  O  O12  1  0.500  0.717  0.113  1.0
  O  O13  1  0.199  0.691  0.842  1.0
  O  O14  1  0.801  0.691  0.842  1.0
  O  O15  1  0.000  0.684  0.057  1.0
  O  O16  1  0.500  0.334  0.955  1.0
  O  O17  1  0.697  0.278  0.170  1.0
  O  O18  1  0.303  0.278  0.170  1.0
  O  O19  1  0.000  0.270  0.920  1.0
  O  O20  1  0.000  0.196  0.369  1.0
  O  O21  1  0.690  0.289  0.661  1.0
  O  O22  1  0.310  0.289  0.661  1.0
  O  O23  1  0.500  0.128  0.449  1.0
[/CIF]
.