The material structure described by NiSn(PO4)2 crystallizes in the monoclinic P2_1/c space group. Ni(1) is bonded to one O(1); one O(3); two O(5,5); and two O(6,6) atoms to form NiO6 octahedra that share corners with four equivalent Sn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. Sn(1) is bonded to one O(2); one O(4); two O(5,5); and two O(6,6) atoms to form SnO6 octahedra that share corners with four equivalent Ni(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1); one O(2); and two O(5,5) atoms to form PO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra, and  an edgeedge with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-57°. In the second P site, P(2) is bonded to one O(3); one O(4); and two O(6,6) atoms to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with three equivalent Sn(1)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a distorted trigonal planar geometry to one Ni(1), one Sn(1), and one P(1) atom. In the second O site, O(5) is bonded in a distorted trigonal planar geometry to one Ni(1), one Sn(1), and one P(1) atom. In the third O site, O(6) is bonded in a distorted trigonal planar geometry to one Ni(1), one Sn(1), and one P(2) atom. In the fourth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ni(1), one Sn(1), and one P(2) atom. In the fifth O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one P(1) atom. In the sixth O site, O(2) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the seventh O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(2) atom. In the eighth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Sn(1) and one P(2) atom. is represented by the CIF card [CIF]
data_NiSn(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.938
_cell_length_b   5.947
_cell_length_c   10.021
_cell_angle_alpha   89.996
_cell_angle_beta   89.666
_cell_angle_gamma   89.994
_symmetry_Int_Tables_number   1
_cell_volume   294.245
_cell_formula_units_Z   2
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  0.438  0.250  0.224  1.0
  Ni  Ni1  1  0.562  0.750  0.776  1.0
  O  O2  1  0.660  0.250  0.058  1.0
  O  O3  1  0.340  0.750  0.942  1.0
  O  O4  1  0.695  0.750  0.119  1.0
  O  O5  1  0.305  0.250  0.881  1.0
  O  O6  1  0.203  0.250  0.387  1.0
  O  O7  1  0.797  0.750  0.613  1.0
  O  O8  1  0.179  0.750  0.444  1.0
  O  O9  1  0.821  0.250  0.556  1.0
  O  O10  1  0.239  0.951  0.166  1.0
  O  O11  1  0.239  0.549  0.166  1.0
  O  O12  1  0.761  0.451  0.834  1.0
  O  O13  1  0.761  0.049  0.834  1.0
  O  O14  1  0.751  0.046  0.336  1.0
  O  O15  1  0.751  0.454  0.336  1.0
  O  O16  1  0.249  0.954  0.664  1.0
  O  O17  1  0.249  0.546  0.664  1.0
  P  P18  1  0.388  0.750  0.090  1.0
  P  P19  1  0.612  0.250  0.910  1.0
  P  P20  1  0.900  0.250  0.406  1.0
  P  P21  1  0.100  0.750  0.594  1.0
  Sn  Sn22  1  0.950  0.750  0.275  1.0
  Sn  Sn23  1  0.050  0.250  0.725  1.0
[/CIF]
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The material structure described by NiSn(PO4)2 crystallizes in the monoclinic P2_1/c space group. Ni(1) is bonded to one O(1); one O(3); two O(5,5); and two O(6,6) atoms to form NiO6 octahedra that share corners with four equivalent Sn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. Sn(1) is bonded to one O(2); one O(4); two O(5,5); and two O(6,6) atoms to form SnO6 octahedra that share corners with four equivalent Ni(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1); one O(2); and two O(5,5) atoms to form PO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra, and  an edgeedge with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-57°. In the second P site, P(2) is bonded to one O(3); one O(4); and two O(6,6) atoms to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with three equivalent Sn(1)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a distorted trigonal planar geometry to one Ni(1), one Sn(1), and one P(1) atom. In the second O site, O(5) is bonded in a distorted trigonal planar geometry to one Ni(1), one Sn(1), and one P(1) atom. In the third O site, O(6) is bonded in a distorted trigonal planar geometry to one Ni(1), one Sn(1), and one P(2) atom. In the fourth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ni(1), one Sn(1), and one P(2) atom. In the fifth O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one P(1) atom. In the sixth O site, O(2) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the seventh O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(2) atom. In the eighth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Sn(1) and one P(2) atom. is represented by the CIF card [CIF]
data_NiSn(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.938
_cell_length_b   5.947
_cell_length_c   10.021
_cell_angle_alpha   89.996
_cell_angle_beta   89.666
_cell_angle_gamma   89.994
_symmetry_Int_Tables_number   1
_cell_volume   294.245
_cell_formula_units_Z   2
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  0.438  0.250  0.224  1.0
  Ni  Ni1  1  0.562  0.750  0.776  1.0
  O  O2  1  0.660  0.250  0.058  1.0
  O  O3  1  0.340  0.750  0.942  1.0
  O  O4  1  0.695  0.750  0.119  1.0
  O  O5  1  0.305  0.250  0.881  1.0
  O  O6  1  0.203  0.250  0.387  1.0
  O  O7  1  0.797  0.750  0.613  1.0
  O  O8  1  0.179  0.750  0.444  1.0
  O  O9  1  0.821  0.250  0.556  1.0
  O  O10  1  0.239  0.951  0.166  1.0
  O  O11  1  0.239  0.549  0.166  1.0
  O  O12  1  0.761  0.451  0.834  1.0
  O  O13  1  0.761  0.049  0.834  1.0
  O  O14  1  0.751  0.046  0.336  1.0
  O  O15  1  0.751  0.454  0.336  1.0
  O  O16  1  0.249  0.954  0.664  1.0
  O  O17  1  0.249  0.546  0.664  1.0
  P  P18  1  0.388  0.750  0.090  1.0
  P  P19  1  0.612  0.250  0.910  1.0
  P  P20  1  0.900  0.250  0.406  1.0
  P  P21  1  0.100  0.750  0.594  1.0
  Sn  Sn22  1  0.950  0.750  0.275  1.0
  Sn  Sn23  1  0.050  0.250  0.725  1.0
[/CIF]
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