The material described by Ni(PO3)3 crystallizes in the orthorhombic Pccn space group. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with four equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. In the second P site, P(2) 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,  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 37-42°. There are five 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(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to two equivalent P(2) atoms. is represented by the CIF card [CIF]
data_Ni(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.381
_cell_length_b   9.677
_cell_length_c   10.658
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   658.194
_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  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.500  0.000  0.500  1.0
  Ni  Ni2  1  0.000  0.500  0.500  1.0
  Ni  Ni3  1  0.500  0.500  0.000  1.0
  P  P4  1  0.750  0.919  0.750  1.0
  P  P5  1  0.365  0.785  0.867  1.0
  P  P6  1  0.135  0.785  0.633  1.0
  P  P7  1  0.865  0.715  0.133  1.0
  P  P8  1  0.635  0.715  0.367  1.0
  P  P9  1  0.250  0.581  0.250  1.0
  P  P10  1  0.750  0.419  0.750  1.0
  P  P11  1  0.365  0.285  0.633  1.0
  P  P12  1  0.135  0.285  0.867  1.0
  P  P13  1  0.635  0.215  0.133  1.0
  P  P14  1  0.865  0.215  0.367  1.0
  P  P15  1  0.250  0.081  0.250  1.0
  O  O16  1  0.149  0.987  0.155  1.0
  O  O17  1  0.351  0.987  0.345  1.0
  O  O18  1  0.237  0.918  0.596  1.0
  O  O19  1  0.263  0.918  0.904  1.0
  O  O20  1  0.616  0.818  0.473  1.0
  O  O21  1  0.884  0.818  0.027  1.0
  O  O22  1  0.594  0.811  0.811  1.0
  O  O23  1  0.906  0.811  0.689  1.0
  O  O24  1  0.750  0.789  0.250  1.0
  O  O25  1  0.250  0.711  0.750  1.0
  O  O26  1  0.094  0.689  0.189  1.0
  O  O27  1  0.406  0.689  0.311  1.0
  O  O28  1  0.116  0.682  0.527  1.0
  O  O29  1  0.384  0.682  0.973  1.0
  O  O30  1  0.763  0.582  0.096  1.0
  O  O31  1  0.737  0.582  0.404  1.0
  O  O32  1  0.851  0.513  0.655  1.0
  O  O33  1  0.649  0.513  0.845  1.0
  O  O34  1  0.351  0.487  0.155  1.0
  O  O35  1  0.149  0.487  0.345  1.0
  O  O36  1  0.263  0.418  0.596  1.0
  O  O37  1  0.237  0.418  0.904  1.0
  O  O38  1  0.616  0.318  0.027  1.0
  O  O39  1  0.884  0.318  0.473  1.0
  O  O40  1  0.594  0.311  0.689  1.0
  O  O41  1  0.906  0.311  0.811  1.0
  O  O42  1  0.750  0.289  0.250  1.0
  O  O43  1  0.250  0.211  0.750  1.0
  O  O44  1  0.406  0.189  0.189  1.0
  O  O45  1  0.094  0.189  0.311  1.0
  O  O46  1  0.384  0.182  0.527  1.0
  O  O47  1  0.116  0.182  0.973  1.0
  O  O48  1  0.737  0.082  0.096  1.0
  O  O49  1  0.763  0.082  0.404  1.0
  O  O50  1  0.649  0.013  0.655  1.0
  O  O51  1  0.851  0.013  0.845  1.0
[/CIF]
.
The material described by Ni(PO3)3 crystallizes in the orthorhombic Pccn space group. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with four equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. In the second P site, P(2) 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,  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 37-42°. There are five 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(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to two equivalent P(2) atoms. is represented by the CIF card [CIF]
data_Ni(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.381
_cell_length_b   9.677
_cell_length_c   10.658
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   658.194
_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  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.500  0.000  0.500  1.0
  Ni  Ni2  1  0.000  0.500  0.500  1.0
  Ni  Ni3  1  0.500  0.500  0.000  1.0
  P  P4  1  0.750  0.919  0.750  1.0
  P  P5  1  0.365  0.785  0.867  1.0
  P  P6  1  0.135  0.785  0.633  1.0
  P  P7  1  0.865  0.715  0.133  1.0
  P  P8  1  0.635  0.715  0.367  1.0
  P  P9  1  0.250  0.581  0.250  1.0
  P  P10  1  0.750  0.419  0.750  1.0
  P  P11  1  0.365  0.285  0.633  1.0
  P  P12  1  0.135  0.285  0.867  1.0
  P  P13  1  0.635  0.215  0.133  1.0
  P  P14  1  0.865  0.215  0.367  1.0
  P  P15  1  0.250  0.081  0.250  1.0
  O  O16  1  0.149  0.987  0.155  1.0
  O  O17  1  0.351  0.987  0.345  1.0
  O  O18  1  0.237  0.918  0.596  1.0
  O  O19  1  0.263  0.918  0.904  1.0
  O  O20  1  0.616  0.818  0.473  1.0
  O  O21  1  0.884  0.818  0.027  1.0
  O  O22  1  0.594  0.811  0.811  1.0
  O  O23  1  0.906  0.811  0.689  1.0
  O  O24  1  0.750  0.789  0.250  1.0
  O  O25  1  0.250  0.711  0.750  1.0
  O  O26  1  0.094  0.689  0.189  1.0
  O  O27  1  0.406  0.689  0.311  1.0
  O  O28  1  0.116  0.682  0.527  1.0
  O  O29  1  0.384  0.682  0.973  1.0
  O  O30  1  0.763  0.582  0.096  1.0
  O  O31  1  0.737  0.582  0.404  1.0
  O  O32  1  0.851  0.513  0.655  1.0
  O  O33  1  0.649  0.513  0.845  1.0
  O  O34  1  0.351  0.487  0.155  1.0
  O  O35  1  0.149  0.487  0.345  1.0
  O  O36  1  0.263  0.418  0.596  1.0
  O  O37  1  0.237  0.418  0.904  1.0
  O  O38  1  0.616  0.318  0.027  1.0
  O  O39  1  0.884  0.318  0.473  1.0
  O  O40  1  0.594  0.311  0.689  1.0
  O  O41  1  0.906  0.311  0.811  1.0
  O  O42  1  0.750  0.289  0.250  1.0
  O  O43  1  0.250  0.211  0.750  1.0
  O  O44  1  0.406  0.189  0.189  1.0
  O  O45  1  0.094  0.189  0.311  1.0
  O  O46  1  0.384  0.182  0.527  1.0
  O  O47  1  0.116  0.182  0.973  1.0
  O  O48  1  0.737  0.082  0.096  1.0
  O  O49  1  0.763  0.082  0.404  1.0
  O  O50  1  0.649  0.013  0.655  1.0
  O  O51  1  0.851  0.013  0.845  1.0
[/CIF]
.