The crystal structure described by LiNiPO4 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra, corners with three equivalent Ni(1)O5 trigonal bipyramids, and  an edgeedge with one Ni(1)O5 trigonal bipyramid. Ni(1) is bonded to one O(1), one O(3), one O(4), and two equivalent O(2) atoms to form NiO5 trigonal bipyramids that share corners with three equivalent Li(1)O4 tetrahedra, corners with five equivalent P(1)O4 tetrahedra, corners with two equivalent Ni(1)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra and corners with five equivalent Ni(1)O5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Ni(1), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Ni(1), 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 3-coordinate geometry to one Li(1), one Ni(1), and one P(1) atom. is represented by the CIF file [CIF]
data_LiNiPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.220
_cell_length_b   6.825
_cell_length_c   8.047
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   286.712
_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  0.218  0.249  0.554  1.0
  Li  Li1  1  0.718  0.251  0.054  1.0
  Li  Li2  1  0.218  0.749  0.946  1.0
  Li  Li3  1  0.718  0.751  0.446  1.0
  Ni  Ni4  1  0.739  0.964  0.756  1.0
  Ni  Ni5  1  0.239  0.536  0.256  1.0
  Ni  Ni6  1  0.739  0.464  0.744  1.0
  Ni  Ni7  1  0.239  0.036  0.244  1.0
  P  P8  1  0.723  0.217  0.409  1.0
  P  P9  1  0.223  0.283  0.909  1.0
  P  P10  1  0.723  0.717  0.091  1.0
  P  P11  1  0.223  0.783  0.591  1.0
  O  O12  1  0.686  0.031  0.513  1.0
  O  O13  1  0.451  0.276  0.336  1.0
  O  O14  1  0.901  0.185  0.256  1.0
  O  O15  1  0.844  0.381  0.516  1.0
  O  O16  1  0.344  0.119  0.016  1.0
  O  O17  1  0.401  0.315  0.756  1.0
  O  O18  1  0.951  0.224  0.836  1.0
  O  O19  1  0.186  0.469  0.013  1.0
  O  O20  1  0.686  0.531  0.987  1.0
  O  O21  1  0.451  0.776  0.164  1.0
  O  O22  1  0.901  0.685  0.244  1.0
  O  O23  1  0.844  0.881  0.984  1.0
  O  O24  1  0.344  0.619  0.484  1.0
  O  O25  1  0.401  0.815  0.744  1.0
  O  O26  1  0.951  0.724  0.664  1.0
  O  O27  1  0.186  0.969  0.487  1.0
[/CIF]
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The crystal structure described by LiNiPO4 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra, corners with three equivalent Ni(1)O5 trigonal bipyramids, and  an edgeedge with one Ni(1)O5 trigonal bipyramid. Ni(1) is bonded to one O(1), one O(3), one O(4), and two equivalent O(2) atoms to form NiO5 trigonal bipyramids that share corners with three equivalent Li(1)O4 tetrahedra, corners with five equivalent P(1)O4 tetrahedra, corners with two equivalent Ni(1)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra and corners with five equivalent Ni(1)O5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Ni(1), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Ni(1), 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 3-coordinate geometry to one Li(1), one Ni(1), and one P(1) atom. is represented by the CIF file [CIF]
data_LiNiPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.220
_cell_length_b   6.825
_cell_length_c   8.047
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   286.712
_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  0.218  0.249  0.554  1.0
  Li  Li1  1  0.718  0.251  0.054  1.0
  Li  Li2  1  0.218  0.749  0.946  1.0
  Li  Li3  1  0.718  0.751  0.446  1.0
  Ni  Ni4  1  0.739  0.964  0.756  1.0
  Ni  Ni5  1  0.239  0.536  0.256  1.0
  Ni  Ni6  1  0.739  0.464  0.744  1.0
  Ni  Ni7  1  0.239  0.036  0.244  1.0
  P  P8  1  0.723  0.217  0.409  1.0
  P  P9  1  0.223  0.283  0.909  1.0
  P  P10  1  0.723  0.717  0.091  1.0
  P  P11  1  0.223  0.783  0.591  1.0
  O  O12  1  0.686  0.031  0.513  1.0
  O  O13  1  0.451  0.276  0.336  1.0
  O  O14  1  0.901  0.185  0.256  1.0
  O  O15  1  0.844  0.381  0.516  1.0
  O  O16  1  0.344  0.119  0.016  1.0
  O  O17  1  0.401  0.315  0.756  1.0
  O  O18  1  0.951  0.224  0.836  1.0
  O  O19  1  0.186  0.469  0.013  1.0
  O  O20  1  0.686  0.531  0.987  1.0
  O  O21  1  0.451  0.776  0.164  1.0
  O  O22  1  0.901  0.685  0.244  1.0
  O  O23  1  0.844  0.881  0.984  1.0
  O  O24  1  0.344  0.619  0.484  1.0
  O  O25  1  0.401  0.815  0.744  1.0
  O  O26  1  0.951  0.724  0.664  1.0
  O  O27  1  0.186  0.969  0.487  1.0
[/CIF]
.