The compound described by LiNiPO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second Li site, Li(2) is bonded in a distorted T-shaped geometry to one O(6), one O(7), and one O(8) atom. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form NiO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Ni(2)O5 trigonal bipyramid, and  an edgeedge with one P(1)O4 tetrahedra. In the second Ni site, Ni(2) is bonded to one O(1), one O(4), one O(8), and two equivalent O(5) atoms to form NiO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra,  a cornercorner with one Ni(1)O5 trigonal bipyramid, and  an edgeedge with one Ni(2)O5 trigonal bipyramid. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O5 trigonal bipyramid,  a cornercorner with one Ni(2)O5 trigonal bipyramid, and  an edgeedge with one Ni(1)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O5 trigonal bipyramids and corners with four equivalent Ni(2)O5 trigonal bipyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Ni(2), and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Ni(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Ni(1), one Ni(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Ni(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Ni(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Ni(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(2), one Ni(2), and one P(1) atom. is represented by the CIF card [CIF]
data_LiNiPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.967
_cell_length_b   6.376
_cell_length_c   9.355
_cell_angle_alpha   73.917
_cell_angle_beta   95.685
_cell_angle_gamma   99.899
_symmetry_Int_Tables_number   1
_cell_volume   336.387
_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  0.596  0.170  0.268  1.0
  Li  Li1  1  0.404  0.829  0.732  1.0
  Li  Li2  1  0.431  0.339  0.670  1.0
  Li  Li3  1  0.569  0.660  0.329  1.0
  Ni  Ni4  1  0.014  0.923  0.284  1.0
  Ni  Ni5  1  0.805  0.355  0.933  1.0
  Ni  Ni6  1  0.986  0.077  0.716  1.0
  Ni  Ni7  1  0.196  0.646  0.067  1.0
  P  P8  1  0.161  0.283  0.379  1.0
  P  P9  1  0.839  0.717  0.621  1.0
  P  P10  1  0.285  0.182  0.999  1.0
  P  P11  1  0.715  0.818  0.001  1.0
  O  O12  1  0.530  0.259  0.051  1.0
  O  O13  1  0.470  0.741  0.949  1.0
  O  O14  1  0.305  0.107  0.366  1.0
  O  O15  1  0.695  0.893  0.634  1.0
  O  O16  1  0.919  0.210  0.315  1.0
  O  O17  1  0.081  0.789  0.685  1.0
  O  O18  1  0.803  0.049  0.894  1.0
  O  O19  1  0.197  0.952  0.106  1.0
  O  O20  1  0.132  0.351  0.010  1.0
  O  O21  1  0.869  0.649  0.990  1.0
  O  O22  1  0.162  0.289  0.544  1.0
  O  O23  1  0.837  0.711  0.456  1.0
  O  O24  1  0.275  0.166  0.836  1.0
  O  O25  1  0.725  0.834  0.164  1.0
  O  O26  1  0.730  0.481  0.710  1.0
  O  O27  1  0.269  0.520  0.290  1.0
[/CIF]
.
The compound described by LiNiPO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second Li site, Li(2) is bonded in a distorted T-shaped geometry to one O(6), one O(7), and one O(8) atom. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form NiO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Ni(2)O5 trigonal bipyramid, and  an edgeedge with one P(1)O4 tetrahedra. In the second Ni site, Ni(2) is bonded to one O(1), one O(4), one O(8), and two equivalent O(5) atoms to form NiO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra,  a cornercorner with one Ni(1)O5 trigonal bipyramid, and  an edgeedge with one Ni(2)O5 trigonal bipyramid. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O5 trigonal bipyramid,  a cornercorner with one Ni(2)O5 trigonal bipyramid, and  an edgeedge with one Ni(1)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O5 trigonal bipyramids and corners with four equivalent Ni(2)O5 trigonal bipyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Ni(2), and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Ni(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Ni(1), one Ni(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Ni(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Ni(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Ni(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(2), one Ni(2), and one P(1) atom. is represented by the CIF card [CIF]
data_LiNiPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.967
_cell_length_b   6.376
_cell_length_c   9.355
_cell_angle_alpha   73.917
_cell_angle_beta   95.685
_cell_angle_gamma   99.899
_symmetry_Int_Tables_number   1
_cell_volume   336.387
_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  0.596  0.170  0.268  1.0
  Li  Li1  1  0.404  0.829  0.732  1.0
  Li  Li2  1  0.431  0.339  0.670  1.0
  Li  Li3  1  0.569  0.660  0.329  1.0
  Ni  Ni4  1  0.014  0.923  0.284  1.0
  Ni  Ni5  1  0.805  0.355  0.933  1.0
  Ni  Ni6  1  0.986  0.077  0.716  1.0
  Ni  Ni7  1  0.196  0.646  0.067  1.0
  P  P8  1  0.161  0.283  0.379  1.0
  P  P9  1  0.839  0.717  0.621  1.0
  P  P10  1  0.285  0.182  0.999  1.0
  P  P11  1  0.715  0.818  0.001  1.0
  O  O12  1  0.530  0.259  0.051  1.0
  O  O13  1  0.470  0.741  0.949  1.0
  O  O14  1  0.305  0.107  0.366  1.0
  O  O15  1  0.695  0.893  0.634  1.0
  O  O16  1  0.919  0.210  0.315  1.0
  O  O17  1  0.081  0.789  0.685  1.0
  O  O18  1  0.803  0.049  0.894  1.0
  O  O19  1  0.197  0.952  0.106  1.0
  O  O20  1  0.132  0.351  0.010  1.0
  O  O21  1  0.869  0.649  0.990  1.0
  O  O22  1  0.162  0.289  0.544  1.0
  O  O23  1  0.837  0.711  0.456  1.0
  O  O24  1  0.275  0.166  0.836  1.0
  O  O25  1  0.725  0.834  0.164  1.0
  O  O26  1  0.730  0.481  0.710  1.0
  O  O27  1  0.269  0.520  0.290  1.0
[/CIF]
.