The structure described by Ni(PO3)3 crystallizes in the triclinic P-1 space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(12), one O(13), one O(14), one O(6), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra, and  an edgeedge with one Ni(2)O6 octahedra. In the second Ni site, Ni(2) is bonded to one O(10), one O(11), one O(13), one O(14), one O(3), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra, and  an edgeedge with one Ni(1)O6 octahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(15), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-49°. In the second P site, P(2) is bonded to one O(11), one O(16), one O(2), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. In the third P site, P(3) is bonded to one O(17), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 16°. In the fourth P site, P(4) is bonded to one O(14), one O(15), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the fifth P site, P(5) is bonded to one O(1), one O(12), one O(18), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 21-55°. In the sixth P site, P(6) is bonded to one O(13), one O(16), one O(18), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-54°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(5) atom. In the second O site, O(2) is bonded in a single-bond geometry to one P(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Ni(2) and one P(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(3) and one P(5) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one P(6) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one P(2) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(6) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one P(1) and one P(4) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one P(2) and one P(6) atom. In the seventeenth O site, O(17) is bonded in a single-bond geometry to one P(3) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one P(5) and one P(6) atom. is represented by the CIF file [CIF]
data_Ni(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.446
_cell_length_b   9.455
_cell_length_c   9.788
_cell_angle_alpha   109.717
_cell_angle_beta   104.965
_cell_angle_gamma   108.625
_symmetry_Int_Tables_number   1
_cell_volume   711.238
_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  0.745  0.225  0.277  1.0
  Ni  Ni1  1  0.908  0.709  0.788  1.0
  Ni  Ni2  1  0.255  0.775  0.723  1.0
  Ni  Ni3  1  0.092  0.291  0.212  1.0
  P  P4  1  0.301  0.434  0.592  1.0
  P  P5  1  0.050  0.783  0.163  1.0
  P  P6  1  0.571  0.340  0.710  1.0
  P  P7  1  0.998  0.395  0.645  1.0
  P  P8  1  0.512  0.154  0.902  1.0
  P  P9  1  0.813  0.907  0.076  1.0
  P  P10  1  0.187  0.093  0.924  1.0
  P  P11  1  0.002  0.605  0.355  1.0
  P  P12  1  0.699  0.566  0.408  1.0
  P  P13  1  0.488  0.846  0.098  1.0
  P  P14  1  0.429  0.660  0.290  1.0
  P  P15  1  0.950  0.217  0.837  1.0
  O  O16  1  0.360  0.811  0.948  1.0
  O  O17  1  0.785  0.075  0.719  1.0
  O  O18  1  0.270  0.516  0.245  1.0
  O  O19  1  0.590  0.304  0.861  1.0
  O  O20  1  0.005  0.626  0.199  1.0
  O  O21  1  0.848  0.259  0.501  1.0
  O  O22  1  0.995  0.374  0.801  1.0
  O  O23  1  0.573  0.604  0.297  1.0
  O  O24  1  0.365  0.621  0.655  1.0
  O  O25  1  0.819  0.855  0.917  1.0
  O  O26  1  0.747  0.672  0.581  1.0
  O  O27  1  0.427  0.396  0.703  1.0
  O  O28  1  0.215  0.925  0.281  1.0
  O  O29  1  0.152  0.741  0.499  1.0
  O  O30  1  0.635  0.379  0.345  1.0
  O  O31  1  0.961  0.280  0.005  1.0
  O  O32  1  0.562  0.014  0.240  1.0
  O  O33  1  0.880  0.093  0.186  1.0
  O  O34  1  0.640  0.189  0.052  1.0
  O  O35  1  0.964  0.424  0.315  1.0
  O  O36  1  0.438  0.986  0.760  1.0
  O  O37  1  0.036  0.576  0.685  1.0
  O  O38  1  0.153  0.363  0.640  1.0
  O  O39  1  0.181  0.145  0.083  1.0
  O  O40  1  0.903  0.829  0.175  1.0
  O  O41  1  0.730  0.484  0.755  1.0
  O  O42  1  0.480  0.813  0.443  1.0
  O  O43  1  0.368  0.194  0.941  1.0
  O  O44  1  0.410  0.696  0.139  1.0
  O  O45  1  0.847  0.637  0.360  1.0
  O  O46  1  0.632  0.806  0.059  1.0
  O  O47  1  0.253  0.328  0.419  1.0
  O  O48  1  0.097  0.171  0.825  1.0
  O  O49  1  0.120  0.907  0.814  1.0
  O  O50  1  0.520  0.187  0.557  1.0
  O  O51  1  0.039  0.720  0.995  1.0
[/CIF]
.
The structure described by Ni(PO3)3 crystallizes in the triclinic P-1 space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(12), one O(13), one O(14), one O(6), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra, and  an edgeedge with one Ni(2)O6 octahedra. In the second Ni site, Ni(2) is bonded to one O(10), one O(11), one O(13), one O(14), one O(3), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra, and  an edgeedge with one Ni(1)O6 octahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(15), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-49°. In the second P site, P(2) is bonded to one O(11), one O(16), one O(2), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. In the third P site, P(3) is bonded to one O(17), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 16°. In the fourth P site, P(4) is bonded to one O(14), one O(15), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the fifth P site, P(5) is bonded to one O(1), one O(12), one O(18), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 21-55°. In the sixth P site, P(6) is bonded to one O(13), one O(16), one O(18), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-54°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(5) atom. In the second O site, O(2) is bonded in a single-bond geometry to one P(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Ni(2) and one P(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(3) and one P(5) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one P(6) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one P(2) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(6) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one P(1) and one P(4) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one P(2) and one P(6) atom. In the seventeenth O site, O(17) is bonded in a single-bond geometry to one P(3) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one P(5) and one P(6) atom. is represented by the CIF file [CIF]
data_Ni(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.446
_cell_length_b   9.455
_cell_length_c   9.788
_cell_angle_alpha   109.717
_cell_angle_beta   104.965
_cell_angle_gamma   108.625
_symmetry_Int_Tables_number   1
_cell_volume   711.238
_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  0.745  0.225  0.277  1.0
  Ni  Ni1  1  0.908  0.709  0.788  1.0
  Ni  Ni2  1  0.255  0.775  0.723  1.0
  Ni  Ni3  1  0.092  0.291  0.212  1.0
  P  P4  1  0.301  0.434  0.592  1.0
  P  P5  1  0.050  0.783  0.163  1.0
  P  P6  1  0.571  0.340  0.710  1.0
  P  P7  1  0.998  0.395  0.645  1.0
  P  P8  1  0.512  0.154  0.902  1.0
  P  P9  1  0.813  0.907  0.076  1.0
  P  P10  1  0.187  0.093  0.924  1.0
  P  P11  1  0.002  0.605  0.355  1.0
  P  P12  1  0.699  0.566  0.408  1.0
  P  P13  1  0.488  0.846  0.098  1.0
  P  P14  1  0.429  0.660  0.290  1.0
  P  P15  1  0.950  0.217  0.837  1.0
  O  O16  1  0.360  0.811  0.948  1.0
  O  O17  1  0.785  0.075  0.719  1.0
  O  O18  1  0.270  0.516  0.245  1.0
  O  O19  1  0.590  0.304  0.861  1.0
  O  O20  1  0.005  0.626  0.199  1.0
  O  O21  1  0.848  0.259  0.501  1.0
  O  O22  1  0.995  0.374  0.801  1.0
  O  O23  1  0.573  0.604  0.297  1.0
  O  O24  1  0.365  0.621  0.655  1.0
  O  O25  1  0.819  0.855  0.917  1.0
  O  O26  1  0.747  0.672  0.581  1.0
  O  O27  1  0.427  0.396  0.703  1.0
  O  O28  1  0.215  0.925  0.281  1.0
  O  O29  1  0.152  0.741  0.499  1.0
  O  O30  1  0.635  0.379  0.345  1.0
  O  O31  1  0.961  0.280  0.005  1.0
  O  O32  1  0.562  0.014  0.240  1.0
  O  O33  1  0.880  0.093  0.186  1.0
  O  O34  1  0.640  0.189  0.052  1.0
  O  O35  1  0.964  0.424  0.315  1.0
  O  O36  1  0.438  0.986  0.760  1.0
  O  O37  1  0.036  0.576  0.685  1.0
  O  O38  1  0.153  0.363  0.640  1.0
  O  O39  1  0.181  0.145  0.083  1.0
  O  O40  1  0.903  0.829  0.175  1.0
  O  O41  1  0.730  0.484  0.755  1.0
  O  O42  1  0.480  0.813  0.443  1.0
  O  O43  1  0.368  0.194  0.941  1.0
  O  O44  1  0.410  0.696  0.139  1.0
  O  O45  1  0.847  0.637  0.360  1.0
  O  O46  1  0.632  0.806  0.059  1.0
  O  O47  1  0.253  0.328  0.419  1.0
  O  O48  1  0.097  0.171  0.825  1.0
  O  O49  1  0.120  0.907  0.814  1.0
  O  O50  1  0.520  0.187  0.557  1.0
  O  O51  1  0.039  0.720  0.995  1.0
[/CIF]
.