The structure described by LiNi(PO3)4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent O(5) and two equivalent O(6) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Ni(1)O6 octahedra. Ni(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form distorted NiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. 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(6) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-36°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 27°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the second O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Ni(1), and one P(1) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(1) atom. In the fifth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one P(2) atom. is represented by the CIF file [CIF]
data_LiNi(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.913
_cell_length_b   8.913
_cell_length_c   9.557
_cell_angle_alpha   58.157
_cell_angle_beta   58.157
_cell_angle_gamma   48.885
_symmetry_Int_Tables_number   1
_cell_volume   466.148
_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
  Li  Li0  1  0.298  0.702  0.250  1.0
  Li  Li1  1  0.702  0.298  0.750  1.0
  Ni  Ni2  1  0.877  0.123  0.250  1.0
  Ni  Ni3  1  0.123  0.877  0.750  1.0
  P  P4  1  0.696  0.026  0.676  1.0
  P  P5  1  0.574  0.706  0.864  1.0
  P  P6  1  0.294  0.426  0.636  1.0
  P  P7  1  0.974  0.304  0.824  1.0
  P  P8  1  0.026  0.696  0.176  1.0
  P  P9  1  0.706  0.574  0.364  1.0
  P  P10  1  0.426  0.294  0.136  1.0
  P  P11  1  0.304  0.974  0.324  1.0
  O  O12  1  0.661  0.841  0.821  1.0
  O  O13  1  0.978  0.251  0.999  1.0
  O  O14  1  0.470  0.224  0.730  1.0
  O  O15  1  0.172  0.600  0.713  1.0
  O  O16  1  0.400  0.828  0.787  1.0
  O  O17  1  0.776  0.530  0.770  1.0
  O  O18  1  0.749  0.022  0.501  1.0
  O  O19  1  0.159  0.339  0.679  1.0
  O  O20  1  0.385  0.478  0.445  1.0
  O  O21  1  0.478  0.385  0.945  1.0
  O  O22  1  0.165  0.971  0.282  1.0
  O  O23  1  0.971  0.165  0.782  1.0
  O  O24  1  0.029  0.835  0.218  1.0
  O  O25  1  0.835  0.029  0.718  1.0
  O  O26  1  0.522  0.615  0.055  1.0
  O  O27  1  0.615  0.522  0.555  1.0
  O  O28  1  0.841  0.661  0.321  1.0
  O  O29  1  0.251  0.978  0.499  1.0
  O  O30  1  0.224  0.470  0.230  1.0
  O  O31  1  0.600  0.172  0.213  1.0
  O  O32  1  0.828  0.400  0.287  1.0
  O  O33  1  0.530  0.776  0.270  1.0
  O  O34  1  0.022  0.749  0.001  1.0
  O  O35  1  0.339  0.159  0.179  1.0
[/CIF]
.
The structure described by LiNi(PO3)4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent O(5) and two equivalent O(6) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Ni(1)O6 octahedra. Ni(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form distorted NiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. 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(6) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-36°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 27°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the second O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Ni(1), and one P(1) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(1) atom. In the fifth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one P(2) atom. is represented by the CIF file [CIF]
data_LiNi(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.913
_cell_length_b   8.913
_cell_length_c   9.557
_cell_angle_alpha   58.157
_cell_angle_beta   58.157
_cell_angle_gamma   48.885
_symmetry_Int_Tables_number   1
_cell_volume   466.148
_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
  Li  Li0  1  0.298  0.702  0.250  1.0
  Li  Li1  1  0.702  0.298  0.750  1.0
  Ni  Ni2  1  0.877  0.123  0.250  1.0
  Ni  Ni3  1  0.123  0.877  0.750  1.0
  P  P4  1  0.696  0.026  0.676  1.0
  P  P5  1  0.574  0.706  0.864  1.0
  P  P6  1  0.294  0.426  0.636  1.0
  P  P7  1  0.974  0.304  0.824  1.0
  P  P8  1  0.026  0.696  0.176  1.0
  P  P9  1  0.706  0.574  0.364  1.0
  P  P10  1  0.426  0.294  0.136  1.0
  P  P11  1  0.304  0.974  0.324  1.0
  O  O12  1  0.661  0.841  0.821  1.0
  O  O13  1  0.978  0.251  0.999  1.0
  O  O14  1  0.470  0.224  0.730  1.0
  O  O15  1  0.172  0.600  0.713  1.0
  O  O16  1  0.400  0.828  0.787  1.0
  O  O17  1  0.776  0.530  0.770  1.0
  O  O18  1  0.749  0.022  0.501  1.0
  O  O19  1  0.159  0.339  0.679  1.0
  O  O20  1  0.385  0.478  0.445  1.0
  O  O21  1  0.478  0.385  0.945  1.0
  O  O22  1  0.165  0.971  0.282  1.0
  O  O23  1  0.971  0.165  0.782  1.0
  O  O24  1  0.029  0.835  0.218  1.0
  O  O25  1  0.835  0.029  0.718  1.0
  O  O26  1  0.522  0.615  0.055  1.0
  O  O27  1  0.615  0.522  0.555  1.0
  O  O28  1  0.841  0.661  0.321  1.0
  O  O29  1  0.251  0.978  0.499  1.0
  O  O30  1  0.224  0.470  0.230  1.0
  O  O31  1  0.600  0.172  0.213  1.0
  O  O32  1  0.828  0.400  0.287  1.0
  O  O33  1  0.530  0.776  0.270  1.0
  O  O34  1  0.022  0.749  0.001  1.0
  O  O35  1  0.339  0.159  0.179  1.0
[/CIF]
.