The structure described by Ni3P4(NO8)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 two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Ni(2)O6 octahedra. In the second Ni site, Ni(2) is bonded to one O(1), one O(4), one O(7), one O(8), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one Ni(2)O6 octahedra. 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(5) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-61°. In the second P site, P(2) is bonded to one O(1), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-61°. N(1) is bonded in a water-like geometry to one N(1) and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(6) is bonded in a water-like geometry to one P(2) and one N(1) atom. In the third O site, O(7) is bonded in a single-bond geometry to one Ni(2) atom. In the fourth O site, O(8) is bonded in a bent 120 degrees geometry to one Ni(2) and one P(2) atom. In the fifth O site, O(1) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(2) atom. In the sixth O site, O(2) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(1) atom. In the seventh O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ni(2) and one P(1) atom. In the eighth O site, O(4) is bonded in a 3-coordinate geometry to one Ni(1), one Ni(2), and one P(1) atom. is represented by the CIF file [CIF]
data_Ni3P4(NO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.891
_cell_length_b   9.007
_cell_length_c   9.499
_cell_angle_alpha   85.129
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   672.670
_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  0.500  0.000  0.500  1.0
  Ni  Ni1  1  0.000  0.500  0.500  1.0
  Ni  Ni2  1  0.371  0.497  0.631  1.0
  Ni  Ni3  1  0.871  0.003  0.369  1.0
  Ni  Ni4  1  0.629  0.503  0.369  1.0
  Ni  Ni5  1  0.129  0.997  0.631  1.0
  P  P6  1  0.286  0.278  0.398  1.0
  P  P7  1  0.786  0.222  0.602  1.0
  P  P8  1  0.714  0.722  0.602  1.0
  P  P9  1  0.214  0.778  0.398  1.0
  P  P10  1  0.439  0.779  0.784  1.0
  P  P11  1  0.939  0.721  0.216  1.0
  P  P12  1  0.561  0.221  0.216  1.0
  P  P13  1  0.061  0.279  0.784  1.0
  N  N14  1  0.477  0.026  0.055  1.0
  N  N15  1  0.977  0.474  0.945  1.0
  N  N16  1  0.523  0.974  0.945  1.0
  N  N17  1  0.023  0.526  0.055  1.0
  O  O18  1  0.371  0.900  0.675  1.0
  O  O19  1  0.871  0.600  0.325  1.0
  O  O20  1  0.629  0.100  0.325  1.0
  O  O21  1  0.129  0.400  0.675  1.0
  O  O22  1  0.387  0.847  0.371  1.0
  O  O23  1  0.887  0.653  0.629  1.0
  O  O24  1  0.613  0.153  0.629  1.0
  O  O25  1  0.113  0.347  0.371  1.0
  O  O26  1  0.415  0.390  0.451  1.0
  O  O27  1  0.915  0.110  0.549  1.0
  O  O28  1  0.585  0.610  0.549  1.0
  O  O29  1  0.085  0.890  0.451  1.0
  O  O30  1  0.287  0.132  0.493  1.0
  O  O31  1  0.787  0.368  0.507  1.0
  O  O32  1  0.713  0.868  0.507  1.0
  O  O33  1  0.213  0.632  0.493  1.0
  O  O34  1  0.361  0.237  0.246  1.0
  O  O35  1  0.861  0.263  0.754  1.0
  O  O36  1  0.639  0.763  0.754  1.0
  O  O37  1  0.139  0.737  0.246  1.0
  O  O38  1  0.434  0.836  0.942  1.0
  O  O39  1  0.934  0.664  0.058  1.0
  O  O40  1  0.566  0.164  0.058  1.0
  O  O41  1  0.066  0.336  0.942  1.0
  O  O42  1  0.485  0.352  0.753  1.0
  O  O43  1  0.985  0.148  0.247  1.0
  O  O44  1  0.515  0.648  0.247  1.0
  O  O45  1  0.015  0.852  0.753  1.0
  O  O46  1  0.351  0.632  0.795  1.0
  O  O47  1  0.851  0.868  0.205  1.0
  O  O48  1  0.649  0.368  0.205  1.0
  O  O49  1  0.149  0.132  0.795  1.0
[/CIF]
.
The structure described by Ni3P4(NO8)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 two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Ni(2)O6 octahedra. In the second Ni site, Ni(2) is bonded to one O(1), one O(4), one O(7), one O(8), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one Ni(2)O6 octahedra. 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(5) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-61°. In the second P site, P(2) is bonded to one O(1), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-61°. N(1) is bonded in a water-like geometry to one N(1) and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(6) is bonded in a water-like geometry to one P(2) and one N(1) atom. In the third O site, O(7) is bonded in a single-bond geometry to one Ni(2) atom. In the fourth O site, O(8) is bonded in a bent 120 degrees geometry to one Ni(2) and one P(2) atom. In the fifth O site, O(1) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(2) atom. In the sixth O site, O(2) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(1) atom. In the seventh O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ni(2) and one P(1) atom. In the eighth O site, O(4) is bonded in a 3-coordinate geometry to one Ni(1), one Ni(2), and one P(1) atom. is represented by the CIF file [CIF]
data_Ni3P4(NO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.891
_cell_length_b   9.007
_cell_length_c   9.499
_cell_angle_alpha   85.129
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   672.670
_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  0.500  0.000  0.500  1.0
  Ni  Ni1  1  0.000  0.500  0.500  1.0
  Ni  Ni2  1  0.371  0.497  0.631  1.0
  Ni  Ni3  1  0.871  0.003  0.369  1.0
  Ni  Ni4  1  0.629  0.503  0.369  1.0
  Ni  Ni5  1  0.129  0.997  0.631  1.0
  P  P6  1  0.286  0.278  0.398  1.0
  P  P7  1  0.786  0.222  0.602  1.0
  P  P8  1  0.714  0.722  0.602  1.0
  P  P9  1  0.214  0.778  0.398  1.0
  P  P10  1  0.439  0.779  0.784  1.0
  P  P11  1  0.939  0.721  0.216  1.0
  P  P12  1  0.561  0.221  0.216  1.0
  P  P13  1  0.061  0.279  0.784  1.0
  N  N14  1  0.477  0.026  0.055  1.0
  N  N15  1  0.977  0.474  0.945  1.0
  N  N16  1  0.523  0.974  0.945  1.0
  N  N17  1  0.023  0.526  0.055  1.0
  O  O18  1  0.371  0.900  0.675  1.0
  O  O19  1  0.871  0.600  0.325  1.0
  O  O20  1  0.629  0.100  0.325  1.0
  O  O21  1  0.129  0.400  0.675  1.0
  O  O22  1  0.387  0.847  0.371  1.0
  O  O23  1  0.887  0.653  0.629  1.0
  O  O24  1  0.613  0.153  0.629  1.0
  O  O25  1  0.113  0.347  0.371  1.0
  O  O26  1  0.415  0.390  0.451  1.0
  O  O27  1  0.915  0.110  0.549  1.0
  O  O28  1  0.585  0.610  0.549  1.0
  O  O29  1  0.085  0.890  0.451  1.0
  O  O30  1  0.287  0.132  0.493  1.0
  O  O31  1  0.787  0.368  0.507  1.0
  O  O32  1  0.713  0.868  0.507  1.0
  O  O33  1  0.213  0.632  0.493  1.0
  O  O34  1  0.361  0.237  0.246  1.0
  O  O35  1  0.861  0.263  0.754  1.0
  O  O36  1  0.639  0.763  0.754  1.0
  O  O37  1  0.139  0.737  0.246  1.0
  O  O38  1  0.434  0.836  0.942  1.0
  O  O39  1  0.934  0.664  0.058  1.0
  O  O40  1  0.566  0.164  0.058  1.0
  O  O41  1  0.066  0.336  0.942  1.0
  O  O42  1  0.485  0.352  0.753  1.0
  O  O43  1  0.985  0.148  0.247  1.0
  O  O44  1  0.515  0.648  0.247  1.0
  O  O45  1  0.015  0.852  0.753  1.0
  O  O46  1  0.351  0.632  0.795  1.0
  O  O47  1  0.851  0.868  0.205  1.0
  O  O48  1  0.649  0.368  0.205  1.0
  O  O49  1  0.149  0.132  0.795  1.0
[/CIF]
.