The structure described by Ni3(PO4)2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(5), one O(6), and two equivalent O(2) atoms to form distorted NiO5 square pyramids that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent Ni(2)O5 trigonal bipyramids,  an edgeedge with one Ni(1)O5 square pyramid, and  an edgeedge with one P(2)O4 tetrahedra. In the second Ni site, Ni(2) is bonded to one O(1), one O(3), one O(5), one O(6), and one O(7) atom to form distorted NiO5 trigonal bipyramids that share corners with three equivalent Ni(1)O5 square pyramids, corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a cornercorner with one Ni(3)O5 trigonal bipyramid. In the third Ni site, Ni(3) is bonded to one O(7), two equivalent O(4), and two equivalent O(8) atoms to form distorted NiO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a cornercorner with one Ni(2)O5 trigonal bipyramid, and edges with two equivalent Ni(3)O5 trigonal bipyramids. There are two inequivalent P sites. In the first P site, 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 corners with three equivalent Ni(1)O5 square pyramids, corners with two equivalent Ni(2)O5 trigonal bipyramids, and corners with two equivalent Ni(3)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Ni(2)O5 trigonal bipyramids, corners with three equivalent Ni(3)O5 trigonal bipyramids, and  an edgeedge with one Ni(1)O5 square pyramid. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a distorted trigonal planar geometry to one Ni(2), one Ni(3), and one P(2) atom. In the second O site, O(8) is bonded in a distorted trigonal planar geometry to two equivalent Ni(3) and one P(2) atom. In the third O site, O(1) 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(2) is bonded in a distorted trigonal planar geometry to two equivalent Ni(1) and one P(1) atom. In the fifth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ni(2) and one P(1) atom. In the sixth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Ni(3) and one P(1) atom. In the seventh O site, O(5) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(2) atom. In the eighth O site, O(6) is bonded in a 3-coordinate geometry to one Ni(1), one Ni(2), and one P(2) atom. is represented by the CIF card [CIF]
data_Ni3(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.116
_cell_length_b   6.106
_cell_length_c   8.701
_cell_angle_alpha   80.032
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   581.663
_cell_formula_units_Z   4
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  0.386  0.378  0.076  1.0
  Ni  Ni1  1  0.114  0.878  0.076  1.0
  Ni  Ni2  1  0.083  0.334  0.275  1.0
  Ni  Ni3  1  0.417  0.834  0.275  1.0
  Ni  Ni4  1  0.694  0.383  0.364  1.0
  Ni  Ni5  1  0.806  0.883  0.364  1.0
  Ni  Ni6  1  0.194  0.117  0.636  1.0
  Ni  Ni7  1  0.306  0.617  0.636  1.0
  Ni  Ni8  1  0.583  0.166  0.725  1.0
  Ni  Ni9  1  0.917  0.666  0.725  1.0
  Ni  Ni10  1  0.886  0.122  0.924  1.0
  Ni  Ni11  1  0.614  0.622  0.924  1.0
  P  P12  1  0.635  0.111  0.093  1.0
  P  P13  1  0.865  0.611  0.093  1.0
  P  P14  1  0.414  0.306  0.396  1.0
  P  P15  1  0.086  0.806  0.396  1.0
  P  P16  1  0.914  0.194  0.604  1.0
  P  P17  1  0.586  0.694  0.604  1.0
  P  P18  1  0.135  0.389  0.907  1.0
  P  P19  1  0.365  0.889  0.907  1.0
  O  O20  1  0.206  0.396  0.061  1.0
  O  O21  1  0.565  0.335  0.073  1.0
  O  O22  1  0.294  0.896  0.061  1.0
  O  O23  1  0.935  0.835  0.073  1.0
  O  O24  1  0.941  0.400  0.134  1.0
  O  O25  1  0.559  0.900  0.134  1.0
  O  O26  1  0.722  0.129  0.230  1.0
  O  O27  1  0.084  0.020  0.270  1.0
  O  O28  1  0.778  0.629  0.230  1.0
  O  O29  1  0.375  0.134  0.295  1.0
  O  O30  1  0.416  0.520  0.270  1.0
  O  O31  1  0.125  0.634  0.295  1.0
  O  O32  1  0.539  0.256  0.476  1.0
  O  O33  1  0.817  0.169  0.481  1.0
  O  O34  1  0.961  0.756  0.476  1.0
  O  O35  1  0.317  0.331  0.519  1.0
  O  O36  1  0.683  0.669  0.481  1.0
  O  O37  1  0.039  0.244  0.524  1.0
  O  O38  1  0.183  0.831  0.519  1.0
  O  O39  1  0.461  0.744  0.524  1.0
  O  O40  1  0.875  0.366  0.705  1.0
  O  O41  1  0.584  0.480  0.730  1.0
  O  O42  1  0.625  0.866  0.705  1.0
  O  O43  1  0.222  0.371  0.770  1.0
  O  O44  1  0.916  0.980  0.730  1.0
  O  O45  1  0.278  0.871  0.770  1.0
  O  O46  1  0.441  0.100  0.866  1.0
  O  O47  1  0.059  0.600  0.866  1.0
  O  O48  1  0.065  0.165  0.927  1.0
  O  O49  1  0.706  0.104  0.939  1.0
  O  O50  1  0.435  0.665  0.927  1.0
  O  O51  1  0.794  0.604  0.939  1.0
[/CIF]
.
The structure described by Ni3(PO4)2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(5), one O(6), and two equivalent O(2) atoms to form distorted NiO5 square pyramids that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent Ni(2)O5 trigonal bipyramids,  an edgeedge with one Ni(1)O5 square pyramid, and  an edgeedge with one P(2)O4 tetrahedra. In the second Ni site, Ni(2) is bonded to one O(1), one O(3), one O(5), one O(6), and one O(7) atom to form distorted NiO5 trigonal bipyramids that share corners with three equivalent Ni(1)O5 square pyramids, corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a cornercorner with one Ni(3)O5 trigonal bipyramid. In the third Ni site, Ni(3) is bonded to one O(7), two equivalent O(4), and two equivalent O(8) atoms to form distorted NiO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a cornercorner with one Ni(2)O5 trigonal bipyramid, and edges with two equivalent Ni(3)O5 trigonal bipyramids. There are two inequivalent P sites. In the first P site, 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 corners with three equivalent Ni(1)O5 square pyramids, corners with two equivalent Ni(2)O5 trigonal bipyramids, and corners with two equivalent Ni(3)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Ni(2)O5 trigonal bipyramids, corners with three equivalent Ni(3)O5 trigonal bipyramids, and  an edgeedge with one Ni(1)O5 square pyramid. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a distorted trigonal planar geometry to one Ni(2), one Ni(3), and one P(2) atom. In the second O site, O(8) is bonded in a distorted trigonal planar geometry to two equivalent Ni(3) and one P(2) atom. In the third O site, O(1) 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(2) is bonded in a distorted trigonal planar geometry to two equivalent Ni(1) and one P(1) atom. In the fifth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ni(2) and one P(1) atom. In the sixth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Ni(3) and one P(1) atom. In the seventh O site, O(5) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(2) atom. In the eighth O site, O(6) is bonded in a 3-coordinate geometry to one Ni(1), one Ni(2), and one P(2) atom. is represented by the CIF card [CIF]
data_Ni3(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.116
_cell_length_b   6.106
_cell_length_c   8.701
_cell_angle_alpha   80.032
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   581.663
_cell_formula_units_Z   4
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  0.386  0.378  0.076  1.0
  Ni  Ni1  1  0.114  0.878  0.076  1.0
  Ni  Ni2  1  0.083  0.334  0.275  1.0
  Ni  Ni3  1  0.417  0.834  0.275  1.0
  Ni  Ni4  1  0.694  0.383  0.364  1.0
  Ni  Ni5  1  0.806  0.883  0.364  1.0
  Ni  Ni6  1  0.194  0.117  0.636  1.0
  Ni  Ni7  1  0.306  0.617  0.636  1.0
  Ni  Ni8  1  0.583  0.166  0.725  1.0
  Ni  Ni9  1  0.917  0.666  0.725  1.0
  Ni  Ni10  1  0.886  0.122  0.924  1.0
  Ni  Ni11  1  0.614  0.622  0.924  1.0
  P  P12  1  0.635  0.111  0.093  1.0
  P  P13  1  0.865  0.611  0.093  1.0
  P  P14  1  0.414  0.306  0.396  1.0
  P  P15  1  0.086  0.806  0.396  1.0
  P  P16  1  0.914  0.194  0.604  1.0
  P  P17  1  0.586  0.694  0.604  1.0
  P  P18  1  0.135  0.389  0.907  1.0
  P  P19  1  0.365  0.889  0.907  1.0
  O  O20  1  0.206  0.396  0.061  1.0
  O  O21  1  0.565  0.335  0.073  1.0
  O  O22  1  0.294  0.896  0.061  1.0
  O  O23  1  0.935  0.835  0.073  1.0
  O  O24  1  0.941  0.400  0.134  1.0
  O  O25  1  0.559  0.900  0.134  1.0
  O  O26  1  0.722  0.129  0.230  1.0
  O  O27  1  0.084  0.020  0.270  1.0
  O  O28  1  0.778  0.629  0.230  1.0
  O  O29  1  0.375  0.134  0.295  1.0
  O  O30  1  0.416  0.520  0.270  1.0
  O  O31  1  0.125  0.634  0.295  1.0
  O  O32  1  0.539  0.256  0.476  1.0
  O  O33  1  0.817  0.169  0.481  1.0
  O  O34  1  0.961  0.756  0.476  1.0
  O  O35  1  0.317  0.331  0.519  1.0
  O  O36  1  0.683  0.669  0.481  1.0
  O  O37  1  0.039  0.244  0.524  1.0
  O  O38  1  0.183  0.831  0.519  1.0
  O  O39  1  0.461  0.744  0.524  1.0
  O  O40  1  0.875  0.366  0.705  1.0
  O  O41  1  0.584  0.480  0.730  1.0
  O  O42  1  0.625  0.866  0.705  1.0
  O  O43  1  0.222  0.371  0.770  1.0
  O  O44  1  0.916  0.980  0.730  1.0
  O  O45  1  0.278  0.871  0.770  1.0
  O  O46  1  0.441  0.100  0.866  1.0
  O  O47  1  0.059  0.600  0.866  1.0
  O  O48  1  0.065  0.165  0.927  1.0
  O  O49  1  0.706  0.104  0.939  1.0
  O  O50  1  0.435  0.665  0.927  1.0
  O  O51  1  0.794  0.604  0.939  1.0
[/CIF]
.