The material structure described by LiNi2(PO4)3 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(4) atoms. Ni(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and  an edgeedge with one Ni(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(2) and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-56°. There are six inequivalent O sites. In the first O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Ni(1) and one P(2) atom. In the second O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(2) atom. In the third O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Ni(1), and one P(1) atom. In the fourth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one P(2) atom. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one P(2) atom. In the sixth O site, O(5) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(1) atom. is represented by the CIF card [CIF]
data_LiNi2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.733
_cell_length_b   8.733
_cell_length_c   6.505
_cell_angle_alpha   73.762
_cell_angle_beta   73.762
_cell_angle_gamma   92.018
_symmetry_Int_Tables_number   1
_cell_volume   453.849
_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  0.500  0.500  0.000  1.0
  Li  Li1  1  0.500  0.500  0.500  1.0
  Ni  Ni2  1  0.620  0.941  0.635  1.0
  Ni  Ni3  1  0.059  0.380  0.865  1.0
  Ni  Ni4  1  0.380  0.059  0.365  1.0
  Ni  Ni5  1  0.941  0.620  0.135  1.0
  P  P6  1  0.711  0.289  0.250  1.0
  P  P7  1  0.289  0.711  0.750  1.0
  P  P8  1  0.350  0.143  0.853  1.0
  P  P9  1  0.143  0.350  0.353  1.0
  P  P10  1  0.650  0.857  0.147  1.0
  P  P11  1  0.857  0.650  0.647  1.0
  O  O12  1  0.360  0.028  0.077  1.0
  O  O13  1  0.268  0.542  0.721  1.0
  O  O14  1  0.181  0.176  0.385  1.0
  O  O15  1  0.732  0.458  0.279  1.0
  O  O16  1  0.689  0.552  0.716  1.0
  O  O17  1  0.448  0.311  0.784  1.0
  O  O18  1  0.164  0.741  0.953  1.0
  O  O19  1  0.458  0.732  0.779  1.0
  O  O20  1  0.588  0.938  0.332  1.0
  O  O21  1  0.741  0.164  0.453  1.0
  O  O22  1  0.552  0.689  0.216  1.0
  O  O23  1  0.311  0.448  0.284  1.0
  O  O24  1  0.836  0.259  0.047  1.0
  O  O25  1  0.972  0.640  0.423  1.0
  O  O26  1  0.542  0.268  0.221  1.0
  O  O27  1  0.640  0.972  0.923  1.0
  O  O28  1  0.824  0.819  0.115  1.0
  O  O29  1  0.062  0.412  0.168  1.0
  O  O30  1  0.028  0.360  0.577  1.0
  O  O31  1  0.259  0.836  0.547  1.0
  O  O32  1  0.176  0.181  0.885  1.0
  O  O33  1  0.938  0.588  0.832  1.0
  O  O34  1  0.412  0.062  0.668  1.0
  O  O35  1  0.819  0.824  0.615  1.0
[/CIF]
.
The material structure described by LiNi2(PO4)3 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(4) atoms. Ni(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and  an edgeedge with one Ni(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(2) and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-56°. There are six inequivalent O sites. In the first O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Ni(1) and one P(2) atom. In the second O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(2) atom. In the third O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Ni(1), and one P(1) atom. In the fourth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one P(2) atom. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one P(2) atom. In the sixth O site, O(5) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(1) atom. is represented by the CIF card [CIF]
data_LiNi2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.733
_cell_length_b   8.733
_cell_length_c   6.505
_cell_angle_alpha   73.762
_cell_angle_beta   73.762
_cell_angle_gamma   92.018
_symmetry_Int_Tables_number   1
_cell_volume   453.849
_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  0.500  0.500  0.000  1.0
  Li  Li1  1  0.500  0.500  0.500  1.0
  Ni  Ni2  1  0.620  0.941  0.635  1.0
  Ni  Ni3  1  0.059  0.380  0.865  1.0
  Ni  Ni4  1  0.380  0.059  0.365  1.0
  Ni  Ni5  1  0.941  0.620  0.135  1.0
  P  P6  1  0.711  0.289  0.250  1.0
  P  P7  1  0.289  0.711  0.750  1.0
  P  P8  1  0.350  0.143  0.853  1.0
  P  P9  1  0.143  0.350  0.353  1.0
  P  P10  1  0.650  0.857  0.147  1.0
  P  P11  1  0.857  0.650  0.647  1.0
  O  O12  1  0.360  0.028  0.077  1.0
  O  O13  1  0.268  0.542  0.721  1.0
  O  O14  1  0.181  0.176  0.385  1.0
  O  O15  1  0.732  0.458  0.279  1.0
  O  O16  1  0.689  0.552  0.716  1.0
  O  O17  1  0.448  0.311  0.784  1.0
  O  O18  1  0.164  0.741  0.953  1.0
  O  O19  1  0.458  0.732  0.779  1.0
  O  O20  1  0.588  0.938  0.332  1.0
  O  O21  1  0.741  0.164  0.453  1.0
  O  O22  1  0.552  0.689  0.216  1.0
  O  O23  1  0.311  0.448  0.284  1.0
  O  O24  1  0.836  0.259  0.047  1.0
  O  O25  1  0.972  0.640  0.423  1.0
  O  O26  1  0.542  0.268  0.221  1.0
  O  O27  1  0.640  0.972  0.923  1.0
  O  O28  1  0.824  0.819  0.115  1.0
  O  O29  1  0.062  0.412  0.168  1.0
  O  O30  1  0.028  0.360  0.577  1.0
  O  O31  1  0.259  0.836  0.547  1.0
  O  O32  1  0.176  0.181  0.885  1.0
  O  O33  1  0.938  0.588  0.832  1.0
  O  O34  1  0.412  0.062  0.668  1.0
  O  O35  1  0.819  0.824  0.615  1.0
[/CIF]
.