The material structure described by LiNiPO4 is Chalcostibite-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and corners with two equivalent Ni(1)O5 trigonal bipyramids. In the second Li site, Li(2) is bonded to one O(1), one O(6), one O(8), and two equivalent O(4) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  a cornercorner with one Ni(1)O5 trigonal bipyramid,  an edgeedge with one P(1)O4 tetrahedra,  an edgeedge with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Ni(1)O5 trigonal bipyramid. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(5), one O(7), one O(8), and two equivalent O(1) atoms to form NiO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Ni(1)O5 trigonal bipyramid. In the second Ni site, Ni(2) is bonded in a see-saw-like geometry to one O(2), one O(3), one O(4), and one O(6) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(2)O5 trigonal bipyramids, corners with three equivalent Ni(1)O5 trigonal bipyramids, and  an edgeedge with one Li(2)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and corners with two equivalent Ni(1)O5 trigonal bipyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Ni(1), and one P(1) atom to form distorted OLiNi2P trigonal pyramids that share corners with three equivalent O(4)Li2NiP trigonal pyramids and  an edgeedge with one O(1)LiNi2P trigonal pyramid. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(2), and one P(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Ni(2), and one P(1) atom. In the fourth O site, O(4) is bonded to two equivalent Li(2), one Ni(2), and one P(1) atom to form OLi2NiP trigonal pyramids that share corners with three equivalent O(1)LiNi2P trigonal pyramids and  an edgeedge with one O(4)Li2NiP trigonal pyramid. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(2), one Ni(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Ni(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Li(2), one Ni(1), 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   5.166
_cell_length_b   7.584
_cell_length_c   8.055
_cell_angle_alpha   92.354
_cell_angle_beta   90.272
_cell_angle_gamma   78.086
_symmetry_Int_Tables_number   1
_cell_volume   308.507
_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  0.305  0.185  0.902  1.0
  Li  Li1  1  0.314  0.667  0.578  1.0
  Li  Li2  1  0.686  0.333  0.422  1.0
  Li  Li3  1  0.695  0.815  0.098  1.0
  Ni  Ni4  1  0.135  0.944  0.314  1.0
  Ni  Ni5  1  0.199  0.477  0.211  1.0
  Ni  Ni6  1  0.801  0.523  0.789  1.0
  Ni  Ni7  1  0.865  0.056  0.686  1.0
  P  P8  1  0.249  0.279  0.562  1.0
  P  P9  1  0.213  0.776  0.917  1.0
  P  P10  1  0.787  0.224  0.083  1.0
  P  P11  1  0.751  0.721  0.438  1.0
  O  O12  1  0.057  0.164  0.482  1.0
  O  O13  1  0.059  0.284  0.087  1.0
  O  O14  1  0.132  0.343  0.736  1.0
  O  O15  1  0.262  0.442  0.453  1.0
  O  O16  1  0.182  0.959  0.830  1.0
  O  O17  1  0.419  0.633  0.820  1.0
  O  O18  1  0.309  0.795  0.099  1.0
  O  O19  1  0.534  0.172  0.573  1.0
  O  O20  1  0.466  0.828  0.427  1.0
  O  O21  1  0.691  0.205  0.901  1.0
  O  O22  1  0.581  0.367  0.180  1.0
  O  O23  1  0.818  0.041  0.170  1.0
  O  O24  1  0.738  0.558  0.547  1.0
  O  O25  1  0.868  0.657  0.264  1.0
  O  O26  1  0.941  0.716  0.913  1.0
  O  O27  1  0.943  0.836  0.518  1.0
[/CIF]
.
The material structure described by LiNiPO4 is Chalcostibite-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and corners with two equivalent Ni(1)O5 trigonal bipyramids. In the second Li site, Li(2) is bonded to one O(1), one O(6), one O(8), and two equivalent O(4) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  a cornercorner with one Ni(1)O5 trigonal bipyramid,  an edgeedge with one P(1)O4 tetrahedra,  an edgeedge with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Ni(1)O5 trigonal bipyramid. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(5), one O(7), one O(8), and two equivalent O(1) atoms to form NiO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Ni(1)O5 trigonal bipyramid. In the second Ni site, Ni(2) is bonded in a see-saw-like geometry to one O(2), one O(3), one O(4), and one O(6) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(2)O5 trigonal bipyramids, corners with three equivalent Ni(1)O5 trigonal bipyramids, and  an edgeedge with one Li(2)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and corners with two equivalent Ni(1)O5 trigonal bipyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Ni(1), and one P(1) atom to form distorted OLiNi2P trigonal pyramids that share corners with three equivalent O(4)Li2NiP trigonal pyramids and  an edgeedge with one O(1)LiNi2P trigonal pyramid. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(2), and one P(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Ni(2), and one P(1) atom. In the fourth O site, O(4) is bonded to two equivalent Li(2), one Ni(2), and one P(1) atom to form OLi2NiP trigonal pyramids that share corners with three equivalent O(1)LiNi2P trigonal pyramids and  an edgeedge with one O(4)Li2NiP trigonal pyramid. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(2), one Ni(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Ni(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Li(2), one Ni(1), 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   5.166
_cell_length_b   7.584
_cell_length_c   8.055
_cell_angle_alpha   92.354
_cell_angle_beta   90.272
_cell_angle_gamma   78.086
_symmetry_Int_Tables_number   1
_cell_volume   308.507
_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  0.305  0.185  0.902  1.0
  Li  Li1  1  0.314  0.667  0.578  1.0
  Li  Li2  1  0.686  0.333  0.422  1.0
  Li  Li3  1  0.695  0.815  0.098  1.0
  Ni  Ni4  1  0.135  0.944  0.314  1.0
  Ni  Ni5  1  0.199  0.477  0.211  1.0
  Ni  Ni6  1  0.801  0.523  0.789  1.0
  Ni  Ni7  1  0.865  0.056  0.686  1.0
  P  P8  1  0.249  0.279  0.562  1.0
  P  P9  1  0.213  0.776  0.917  1.0
  P  P10  1  0.787  0.224  0.083  1.0
  P  P11  1  0.751  0.721  0.438  1.0
  O  O12  1  0.057  0.164  0.482  1.0
  O  O13  1  0.059  0.284  0.087  1.0
  O  O14  1  0.132  0.343  0.736  1.0
  O  O15  1  0.262  0.442  0.453  1.0
  O  O16  1  0.182  0.959  0.830  1.0
  O  O17  1  0.419  0.633  0.820  1.0
  O  O18  1  0.309  0.795  0.099  1.0
  O  O19  1  0.534  0.172  0.573  1.0
  O  O20  1  0.466  0.828  0.427  1.0
  O  O21  1  0.691  0.205  0.901  1.0
  O  O22  1  0.581  0.367  0.180  1.0
  O  O23  1  0.818  0.041  0.170  1.0
  O  O24  1  0.738  0.558  0.547  1.0
  O  O25  1  0.868  0.657  0.264  1.0
  O  O26  1  0.941  0.716  0.913  1.0
  O  O27  1  0.943  0.836  0.518  1.0
[/CIF]
.