The material described by Ni(PO3)3 crystallizes in the orthorhombic P2_12_12_1 space group. Ni(1) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-55°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the third P site, P(3) is bonded to one O(3), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share 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 42-46°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. is represented by the CIF card [CIF]
data_Ni(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.319
_cell_length_b   8.600
_cell_length_c   8.880
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   635.271
_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  0.652  0.630  0.614  1.0
  Ni  Ni1  1  0.848  0.370  0.114  1.0
  Ni  Ni2  1  0.348  0.130  0.886  1.0
  Ni  Ni3  1  0.152  0.870  0.386  1.0
  P  P4  1  0.800  0.690  0.924  1.0
  P  P5  1  0.025  0.688  0.671  1.0
  P  P6  1  0.184  0.528  0.193  1.0
  P  P7  1  0.316  0.472  0.693  1.0
  P  P8  1  0.475  0.312  0.171  1.0
  P  P9  1  0.700  0.310  0.424  1.0
  P  P10  1  0.200  0.190  0.576  1.0
  P  P11  1  0.975  0.188  0.829  1.0
  P  P12  1  0.816  0.028  0.307  1.0
  P  P13  1  0.684  0.972  0.807  1.0
  P  P14  1  0.525  0.812  0.329  1.0
  P  P15  1  0.300  0.810  0.076  1.0
  O  O16  1  0.964  0.738  0.836  1.0
  O  O17  1  0.619  0.680  0.398  1.0
  O  O18  1  0.222  0.641  0.049  1.0
  O  O19  1  0.886  0.626  0.580  1.0
  O  O20  1  0.836  0.616  0.072  1.0
  O  O21  1  0.144  0.626  0.327  1.0
  O  O22  1  0.422  0.604  0.642  1.0
  O  O23  1  0.692  0.590  0.824  1.0
  O  O24  1  0.142  0.549  0.719  1.0
  O  O25  1  0.358  0.451  0.219  1.0
  O  O26  1  0.808  0.410  0.324  1.0
  O  O27  1  0.078  0.396  0.142  1.0
  O  O28  1  0.356  0.374  0.827  1.0
  O  O29  1  0.664  0.384  0.572  1.0
  O  O30  1  0.614  0.374  0.080  1.0
  O  O31  1  0.278  0.359  0.549  1.0
  O  O32  1  0.881  0.320  0.898  1.0
  O  O33  1  0.536  0.262  0.336  1.0
  O  O34  1  0.036  0.238  0.664  1.0
  O  O35  1  0.381  0.180  0.102  1.0
  O  O36  1  0.778  0.141  0.451  1.0
  O  O37  1  0.114  0.126  0.920  1.0
  O  O38  1  0.164  0.116  0.428  1.0
  O  O39  1  0.856  0.126  0.173  1.0
  O  O40  1  0.578  0.104  0.858  1.0
  O  O41  1  0.308  0.090  0.676  1.0
  O  O42  1  0.858  0.049  0.781  1.0
  O  O43  1  0.642  0.951  0.281  1.0
  O  O44  1  0.192  0.910  0.176  1.0
  O  O45  1  0.922  0.896  0.358  1.0
  O  O46  1  0.644  0.874  0.673  1.0
  O  O47  1  0.336  0.884  0.928  1.0
  O  O48  1  0.386  0.874  0.420  1.0
  O  O49  1  0.722  0.859  0.951  1.0
  O  O50  1  0.119  0.820  0.602  1.0
  O  O51  1  0.464  0.762  0.164  1.0
[/CIF]
.
The material described by Ni(PO3)3 crystallizes in the orthorhombic P2_12_12_1 space group. Ni(1) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-55°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the third P site, P(3) is bonded to one O(3), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share 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 42-46°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. is represented by the CIF card [CIF]
data_Ni(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.319
_cell_length_b   8.600
_cell_length_c   8.880
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   635.271
_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  0.652  0.630  0.614  1.0
  Ni  Ni1  1  0.848  0.370  0.114  1.0
  Ni  Ni2  1  0.348  0.130  0.886  1.0
  Ni  Ni3  1  0.152  0.870  0.386  1.0
  P  P4  1  0.800  0.690  0.924  1.0
  P  P5  1  0.025  0.688  0.671  1.0
  P  P6  1  0.184  0.528  0.193  1.0
  P  P7  1  0.316  0.472  0.693  1.0
  P  P8  1  0.475  0.312  0.171  1.0
  P  P9  1  0.700  0.310  0.424  1.0
  P  P10  1  0.200  0.190  0.576  1.0
  P  P11  1  0.975  0.188  0.829  1.0
  P  P12  1  0.816  0.028  0.307  1.0
  P  P13  1  0.684  0.972  0.807  1.0
  P  P14  1  0.525  0.812  0.329  1.0
  P  P15  1  0.300  0.810  0.076  1.0
  O  O16  1  0.964  0.738  0.836  1.0
  O  O17  1  0.619  0.680  0.398  1.0
  O  O18  1  0.222  0.641  0.049  1.0
  O  O19  1  0.886  0.626  0.580  1.0
  O  O20  1  0.836  0.616  0.072  1.0
  O  O21  1  0.144  0.626  0.327  1.0
  O  O22  1  0.422  0.604  0.642  1.0
  O  O23  1  0.692  0.590  0.824  1.0
  O  O24  1  0.142  0.549  0.719  1.0
  O  O25  1  0.358  0.451  0.219  1.0
  O  O26  1  0.808  0.410  0.324  1.0
  O  O27  1  0.078  0.396  0.142  1.0
  O  O28  1  0.356  0.374  0.827  1.0
  O  O29  1  0.664  0.384  0.572  1.0
  O  O30  1  0.614  0.374  0.080  1.0
  O  O31  1  0.278  0.359  0.549  1.0
  O  O32  1  0.881  0.320  0.898  1.0
  O  O33  1  0.536  0.262  0.336  1.0
  O  O34  1  0.036  0.238  0.664  1.0
  O  O35  1  0.381  0.180  0.102  1.0
  O  O36  1  0.778  0.141  0.451  1.0
  O  O37  1  0.114  0.126  0.920  1.0
  O  O38  1  0.164  0.116  0.428  1.0
  O  O39  1  0.856  0.126  0.173  1.0
  O  O40  1  0.578  0.104  0.858  1.0
  O  O41  1  0.308  0.090  0.676  1.0
  O  O42  1  0.858  0.049  0.781  1.0
  O  O43  1  0.642  0.951  0.281  1.0
  O  O44  1  0.192  0.910  0.176  1.0
  O  O45  1  0.922  0.896  0.358  1.0
  O  O46  1  0.644  0.874  0.673  1.0
  O  O47  1  0.336  0.884  0.928  1.0
  O  O48  1  0.386  0.874  0.420  1.0
  O  O49  1  0.722  0.859  0.951  1.0
  O  O50  1  0.119  0.820  0.602  1.0
  O  O51  1  0.464  0.762  0.164  1.0
[/CIF]
.