The structure described by LiNi2(PO4)3 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with three equivalent P(2)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, and  an edgeedge with one Ni(3)O6 octahedra. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form NiO6 octahedra that share corners with six 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(7), one O(9), two equivalent O(2), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. In the third Ni site, Ni(3) is bonded to two equivalent O(8) and four equivalent O(5) atoms to form NiO6 octahedra that share corners with six equivalent P(2)O4 tetrahedra and edges with two equivalent Li(1)O6 octahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(7), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra and corners with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the second P site, P(2) is bonded to one O(6), one O(8), and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra and corners with three equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the third P site, P(3) is bonded to one O(1), one O(9), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra and corners with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. There are nine inequivalent O sites. In the first O site, O(6) is bonded in a bent 120 degrees geometry to one Li(1) and one P(2) atom. In the second O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Ni(2) and one P(1) atom. In the third O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Ni(3) and one P(2) atom. In the fourth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Ni(2) and one P(3) atom. In the fifth O site, O(1) is bonded in a bent 120 degrees geometry to one Li(1) and one P(3) atom. In the sixth O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(2), and one P(3) atom. In the seventh O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(1) atom. In the eighth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(1) atom. In the ninth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(3), and one P(2) atom. is represented by the CIF file [CIF]
data_LiNi2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.835
_cell_length_b   4.835
_cell_length_c   19.299
_cell_angle_alpha   89.536
_cell_angle_beta   89.536
_cell_angle_gamma   66.113
_symmetry_Int_Tables_number   1
_cell_volume   412.430
_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  1.000  1.000  0.334  1.0
  Li  Li1  1  0.000  0.000  0.666  1.0
  Ni  Ni2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.002  0.002  0.834  1.0
  Ni  Ni4  1  0.998  0.998  0.166  1.0
  Ni  Ni5  1  0.000  0.000  0.500  1.0
  P  P6  1  0.646  0.646  0.083  1.0
  P  P7  1  0.643  0.643  0.419  1.0
  P  P8  1  0.355  0.355  0.248  1.0
  P  P9  1  0.357  0.357  0.581  1.0
  P  P10  1  0.354  0.354  0.917  1.0
  P  P11  1  0.645  0.645  0.752  1.0
  O  O12  1  0.256  0.256  0.317  1.0
  O  O13  1  0.774  0.297  0.754  1.0
  O  O14  1  0.753  0.753  0.016  1.0
  O  O15  1  0.705  0.223  0.917  1.0
  O  O16  1  0.772  0.296  0.420  1.0
  O  O17  1  0.703  0.226  0.246  1.0
  O  O18  1  0.296  0.772  0.420  1.0
  O  O19  1  0.777  0.295  0.083  1.0
  O  O20  1  0.744  0.744  0.350  1.0
  O  O21  1  0.744  0.744  0.683  1.0
  O  O22  1  0.750  0.750  0.150  1.0
  O  O23  1  0.297  0.774  0.754  1.0
  O  O24  1  0.250  0.250  0.850  1.0
  O  O25  1  0.223  0.705  0.917  1.0
  O  O26  1  0.226  0.703  0.246  1.0
  O  O27  1  0.247  0.247  0.515  1.0
  O  O28  1  0.228  0.704  0.580  1.0
  O  O29  1  0.755  0.755  0.818  1.0
  O  O30  1  0.247  0.247  0.984  1.0
  O  O31  1  0.704  0.228  0.580  1.0
  O  O32  1  0.256  0.256  0.650  1.0
  O  O33  1  0.245  0.245  0.182  1.0
  O  O34  1  0.295  0.777  0.083  1.0
  O  O35  1  0.753  0.753  0.485  1.0
[/CIF]
.
The structure described by LiNi2(PO4)3 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with three equivalent P(2)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, and  an edgeedge with one Ni(3)O6 octahedra. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form NiO6 octahedra that share corners with six 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(7), one O(9), two equivalent O(2), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. In the third Ni site, Ni(3) is bonded to two equivalent O(8) and four equivalent O(5) atoms to form NiO6 octahedra that share corners with six equivalent P(2)O4 tetrahedra and edges with two equivalent Li(1)O6 octahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(7), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra and corners with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the second P site, P(2) is bonded to one O(6), one O(8), and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra and corners with three equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the third P site, P(3) is bonded to one O(1), one O(9), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra and corners with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. There are nine inequivalent O sites. In the first O site, O(6) is bonded in a bent 120 degrees geometry to one Li(1) and one P(2) atom. In the second O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Ni(2) and one P(1) atom. In the third O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Ni(3) and one P(2) atom. In the fourth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Ni(2) and one P(3) atom. In the fifth O site, O(1) is bonded in a bent 120 degrees geometry to one Li(1) and one P(3) atom. In the sixth O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(2), and one P(3) atom. In the seventh O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(1) atom. In the eighth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(1) atom. In the ninth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(3), and one P(2) atom. is represented by the CIF file [CIF]
data_LiNi2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.835
_cell_length_b   4.835
_cell_length_c   19.299
_cell_angle_alpha   89.536
_cell_angle_beta   89.536
_cell_angle_gamma   66.113
_symmetry_Int_Tables_number   1
_cell_volume   412.430
_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  1.000  1.000  0.334  1.0
  Li  Li1  1  0.000  0.000  0.666  1.0
  Ni  Ni2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.002  0.002  0.834  1.0
  Ni  Ni4  1  0.998  0.998  0.166  1.0
  Ni  Ni5  1  0.000  0.000  0.500  1.0
  P  P6  1  0.646  0.646  0.083  1.0
  P  P7  1  0.643  0.643  0.419  1.0
  P  P8  1  0.355  0.355  0.248  1.0
  P  P9  1  0.357  0.357  0.581  1.0
  P  P10  1  0.354  0.354  0.917  1.0
  P  P11  1  0.645  0.645  0.752  1.0
  O  O12  1  0.256  0.256  0.317  1.0
  O  O13  1  0.774  0.297  0.754  1.0
  O  O14  1  0.753  0.753  0.016  1.0
  O  O15  1  0.705  0.223  0.917  1.0
  O  O16  1  0.772  0.296  0.420  1.0
  O  O17  1  0.703  0.226  0.246  1.0
  O  O18  1  0.296  0.772  0.420  1.0
  O  O19  1  0.777  0.295  0.083  1.0
  O  O20  1  0.744  0.744  0.350  1.0
  O  O21  1  0.744  0.744  0.683  1.0
  O  O22  1  0.750  0.750  0.150  1.0
  O  O23  1  0.297  0.774  0.754  1.0
  O  O24  1  0.250  0.250  0.850  1.0
  O  O25  1  0.223  0.705  0.917  1.0
  O  O26  1  0.226  0.703  0.246  1.0
  O  O27  1  0.247  0.247  0.515  1.0
  O  O28  1  0.228  0.704  0.580  1.0
  O  O29  1  0.755  0.755  0.818  1.0
  O  O30  1  0.247  0.247  0.984  1.0
  O  O31  1  0.704  0.228  0.580  1.0
  O  O32  1  0.256  0.256  0.650  1.0
  O  O33  1  0.245  0.245  0.182  1.0
  O  O34  1  0.295  0.777  0.083  1.0
  O  O35  1  0.753  0.753  0.485  1.0
[/CIF]
.