The material structure described by Ni3(PO4)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form NiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-63°. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with four equivalent Ni(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-63°. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-58°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Ni(2), two equivalent Ni(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ni(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(1) atom. is represented by the CIF file [CIF]
data_Ni3(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.683
_cell_length_b   5.807
_cell_length_c   10.076
_cell_angle_alpha   88.846
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   273.992
_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  0.013  0.243  0.727  1.0
  Ni  Ni1  1  0.513  0.757  0.773  1.0
  Ni  Ni2  1  0.487  0.243  0.227  1.0
  Ni  Ni3  1  0.987  0.757  0.273  1.0
  Ni  Ni4  1  0.500  0.500  0.500  1.0
  Ni  Ni5  1  0.000  0.500  0.000  1.0
  P  P6  1  0.077  0.749  0.595  1.0
  P  P7  1  0.577  0.251  0.905  1.0
  P  P8  1  0.923  0.251  0.405  1.0
  P  P9  1  0.423  0.749  0.095  1.0
  O  O10  1  0.234  0.534  0.662  1.0
  O  O11  1  0.734  0.466  0.838  1.0
  O  O12  1  0.766  0.466  0.338  1.0
  O  O13  1  0.266  0.534  0.162  1.0
  O  O14  1  0.200  0.950  0.673  1.0
  O  O15  1  0.700  0.050  0.827  1.0
  O  O16  1  0.800  0.050  0.327  1.0
  O  O17  1  0.300  0.950  0.173  1.0
  O  O18  1  0.308  0.744  0.952  1.0
  O  O19  1  0.808  0.256  0.548  1.0
  O  O20  1  0.747  0.733  0.101  1.0
  O  O21  1  0.247  0.267  0.399  1.0
  O  O22  1  0.253  0.267  0.899  1.0
  O  O23  1  0.692  0.256  0.048  1.0
  O  O24  1  0.192  0.744  0.452  1.0
  O  O25  1  0.753  0.733  0.601  1.0
[/CIF]
.
The material structure described by Ni3(PO4)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form NiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-63°. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with four equivalent Ni(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-63°. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-58°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Ni(2), two equivalent Ni(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ni(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(1) atom. is represented by the CIF file [CIF]
data_Ni3(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.683
_cell_length_b   5.807
_cell_length_c   10.076
_cell_angle_alpha   88.846
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   273.992
_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  0.013  0.243  0.727  1.0
  Ni  Ni1  1  0.513  0.757  0.773  1.0
  Ni  Ni2  1  0.487  0.243  0.227  1.0
  Ni  Ni3  1  0.987  0.757  0.273  1.0
  Ni  Ni4  1  0.500  0.500  0.500  1.0
  Ni  Ni5  1  0.000  0.500  0.000  1.0
  P  P6  1  0.077  0.749  0.595  1.0
  P  P7  1  0.577  0.251  0.905  1.0
  P  P8  1  0.923  0.251  0.405  1.0
  P  P9  1  0.423  0.749  0.095  1.0
  O  O10  1  0.234  0.534  0.662  1.0
  O  O11  1  0.734  0.466  0.838  1.0
  O  O12  1  0.766  0.466  0.338  1.0
  O  O13  1  0.266  0.534  0.162  1.0
  O  O14  1  0.200  0.950  0.673  1.0
  O  O15  1  0.700  0.050  0.827  1.0
  O  O16  1  0.800  0.050  0.327  1.0
  O  O17  1  0.300  0.950  0.173  1.0
  O  O18  1  0.308  0.744  0.952  1.0
  O  O19  1  0.808  0.256  0.548  1.0
  O  O20  1  0.747  0.733  0.101  1.0
  O  O21  1  0.247  0.267  0.399  1.0
  O  O22  1  0.253  0.267  0.899  1.0
  O  O23  1  0.692  0.256  0.048  1.0
  O  O24  1  0.192  0.744  0.452  1.0
  O  O25  1  0.753  0.733  0.601  1.0
[/CIF]
.