The material described by LiNi2(PO4)2 crystallizes in the orthorhombic Pca2_1 space group. Li(1) is bonded to one O(3), one O(5), one O(6), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Ni(1)O4 tetrahedra, corners with two equivalent Ni(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form NiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the second Ni site, Ni(2) is bonded to one O(2), one O(5), one O(7), and one O(8) atom to form NiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)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(5) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, and corners with two equivalent Ni(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(4), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, and corners with two equivalent Ni(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ni(2) and one P(1) atom. In the third O site, O(3) 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(4) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Ni(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(1), one Ni(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Ni(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(1), one Ni(2), and one P(2) atom. is represented by the CIF card [CIF]
data_LiNi2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.978
_cell_length_b   10.018
_cell_length_c   14.030
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   699.719
_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
  Li  Li0  1  0.550  0.226  0.249  1.0
  Li  Li1  1  0.550  0.274  0.749  1.0
  Li  Li2  1  0.450  0.726  0.249  1.0
  Li  Li3  1  0.450  0.774  0.749  1.0
  Ni  Ni4  1  0.058  0.036  0.248  1.0
  Ni  Ni5  1  0.543  0.231  0.999  1.0
  Ni  Ni6  1  0.543  0.269  0.499  1.0
  Ni  Ni7  1  0.058  0.464  0.748  1.0
  Ni  Ni8  1  0.942  0.536  0.248  1.0
  Ni  Ni9  1  0.457  0.731  0.999  1.0
  Ni  Ni10  1  0.457  0.769  0.499  1.0
  Ni  Ni11  1  0.942  0.964  0.748  1.0
  P  P12  1  0.438  0.025  0.624  1.0
  P  P13  1  0.054  0.214  0.872  1.0
  P  P14  1  0.054  0.286  0.372  1.0
  P  P15  1  0.438  0.475  0.124  1.0
  P  P16  1  0.562  0.525  0.624  1.0
  P  P17  1  0.946  0.714  0.872  1.0
  P  P18  1  0.946  0.786  0.372  1.0
  P  P19  1  0.562  0.975  0.124  1.0
  O  O20  1  0.870  0.996  0.140  1.0
  O  O21  1  0.485  0.041  0.030  1.0
  O  O22  1  0.423  0.044  0.212  1.0
  O  O23  1  0.989  0.063  0.855  1.0
  O  O24  1  0.506  0.175  0.625  1.0
  O  O25  1  0.938  0.210  0.283  1.0
  O  O26  1  0.922  0.246  0.465  1.0
  O  O27  1  0.360  0.239  0.872  1.0
  O  O28  1  0.360  0.261  0.372  1.0
  O  O29  1  0.922  0.254  0.965  1.0
  O  O30  1  0.938  0.290  0.783  1.0
  O  O31  1  0.506  0.325  0.125  1.0
  O  O32  1  0.989  0.437  0.355  1.0
  O  O33  1  0.423  0.456  0.712  1.0
  O  O34  1  0.485  0.459  0.530  1.0
  O  O35  1  0.870  0.504  0.640  1.0
  O  O36  1  0.130  0.496  0.140  1.0
  O  O37  1  0.515  0.541  0.030  1.0
  O  O38  1  0.577  0.544  0.212  1.0
  O  O39  1  0.011  0.563  0.855  1.0
  O  O40  1  0.494  0.675  0.625  1.0
  O  O41  1  0.062  0.710  0.283  1.0
  O  O42  1  0.078  0.746  0.465  1.0
  O  O43  1  0.640  0.739  0.872  1.0
  O  O44  1  0.640  0.761  0.372  1.0
  O  O45  1  0.078  0.754  0.965  1.0
  O  O46  1  0.062  0.790  0.783  1.0
  O  O47  1  0.494  0.825  0.125  1.0
  O  O48  1  0.011  0.937  0.355  1.0
  O  O49  1  0.577  0.956  0.712  1.0
  O  O50  1  0.515  0.959  0.530  1.0
  O  O51  1  0.130  0.004  0.640  1.0
[/CIF]
.
The material described by LiNi2(PO4)2 crystallizes in the orthorhombic Pca2_1 space group. Li(1) is bonded to one O(3), one O(5), one O(6), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Ni(1)O4 tetrahedra, corners with two equivalent Ni(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form NiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the second Ni site, Ni(2) is bonded to one O(2), one O(5), one O(7), and one O(8) atom to form NiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)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(5) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, and corners with two equivalent Ni(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(4), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, and corners with two equivalent Ni(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ni(2) and one P(1) atom. In the third O site, O(3) 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(4) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Ni(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(1), one Ni(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Ni(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(1), one Ni(2), and one P(2) atom. is represented by the CIF card [CIF]
data_LiNi2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.978
_cell_length_b   10.018
_cell_length_c   14.030
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   699.719
_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
  Li  Li0  1  0.550  0.226  0.249  1.0
  Li  Li1  1  0.550  0.274  0.749  1.0
  Li  Li2  1  0.450  0.726  0.249  1.0
  Li  Li3  1  0.450  0.774  0.749  1.0
  Ni  Ni4  1  0.058  0.036  0.248  1.0
  Ni  Ni5  1  0.543  0.231  0.999  1.0
  Ni  Ni6  1  0.543  0.269  0.499  1.0
  Ni  Ni7  1  0.058  0.464  0.748  1.0
  Ni  Ni8  1  0.942  0.536  0.248  1.0
  Ni  Ni9  1  0.457  0.731  0.999  1.0
  Ni  Ni10  1  0.457  0.769  0.499  1.0
  Ni  Ni11  1  0.942  0.964  0.748  1.0
  P  P12  1  0.438  0.025  0.624  1.0
  P  P13  1  0.054  0.214  0.872  1.0
  P  P14  1  0.054  0.286  0.372  1.0
  P  P15  1  0.438  0.475  0.124  1.0
  P  P16  1  0.562  0.525  0.624  1.0
  P  P17  1  0.946  0.714  0.872  1.0
  P  P18  1  0.946  0.786  0.372  1.0
  P  P19  1  0.562  0.975  0.124  1.0
  O  O20  1  0.870  0.996  0.140  1.0
  O  O21  1  0.485  0.041  0.030  1.0
  O  O22  1  0.423  0.044  0.212  1.0
  O  O23  1  0.989  0.063  0.855  1.0
  O  O24  1  0.506  0.175  0.625  1.0
  O  O25  1  0.938  0.210  0.283  1.0
  O  O26  1  0.922  0.246  0.465  1.0
  O  O27  1  0.360  0.239  0.872  1.0
  O  O28  1  0.360  0.261  0.372  1.0
  O  O29  1  0.922  0.254  0.965  1.0
  O  O30  1  0.938  0.290  0.783  1.0
  O  O31  1  0.506  0.325  0.125  1.0
  O  O32  1  0.989  0.437  0.355  1.0
  O  O33  1  0.423  0.456  0.712  1.0
  O  O34  1  0.485  0.459  0.530  1.0
  O  O35  1  0.870  0.504  0.640  1.0
  O  O36  1  0.130  0.496  0.140  1.0
  O  O37  1  0.515  0.541  0.030  1.0
  O  O38  1  0.577  0.544  0.212  1.0
  O  O39  1  0.011  0.563  0.855  1.0
  O  O40  1  0.494  0.675  0.625  1.0
  O  O41  1  0.062  0.710  0.283  1.0
  O  O42  1  0.078  0.746  0.465  1.0
  O  O43  1  0.640  0.739  0.872  1.0
  O  O44  1  0.640  0.761  0.372  1.0
  O  O45  1  0.078  0.754  0.965  1.0
  O  O46  1  0.062  0.790  0.783  1.0
  O  O47  1  0.494  0.825  0.125  1.0
  O  O48  1  0.011  0.937  0.355  1.0
  O  O49  1  0.577  0.956  0.712  1.0
  O  O50  1  0.515  0.959  0.530  1.0
  O  O51  1  0.130  0.004  0.640  1.0
[/CIF]
.