The structure described by LiNiPO4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. Ni(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(4) atoms to form distorted NiO5 trigonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Ni(1)O5 trigonal bipyramid. 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 three equivalent Ni(1)O5 trigonal bipyramids and  an edgeedge with one Ni(1)O5 trigonal bipyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Ni(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Ni(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Ni(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to two equivalent 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   4.971
_cell_length_b   4.971
_cell_length_c   15.402
_cell_angle_alpha   86.563
_cell_angle_beta   86.563
_cell_angle_gamma   74.794
_symmetry_Int_Tables_number   1
_cell_volume   366.144
_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  0.786  0.669  0.271  1.0
  Li  Li1  1  0.669  0.786  0.771  1.0
  Li  Li2  1  0.331  0.214  0.229  1.0
  Li  Li3  1  0.214  0.331  0.729  1.0
  Ni  Ni4  1  0.930  0.377  0.089  1.0
  Ni  Ni5  1  0.623  0.070  0.411  1.0
  Ni  Ni6  1  0.377  0.930  0.589  1.0
  Ni  Ni7  1  0.070  0.623  0.911  1.0
  P  P8  1  0.299  0.735  0.377  1.0
  P  P9  1  0.265  0.701  0.123  1.0
  P  P10  1  0.735  0.299  0.877  1.0
  P  P11  1  0.701  0.265  0.623  1.0
  O  O12  1  0.438  0.916  0.311  1.0
  O  O13  1  0.916  0.438  0.811  1.0
  O  O14  1  0.203  0.019  0.131  1.0
  O  O15  1  0.569  0.555  0.144  1.0
  O  O16  1  0.377  0.817  0.466  1.0
  O  O17  1  0.019  0.203  0.631  1.0
  O  O18  1  0.555  0.569  0.644  1.0
  O  O19  1  0.817  0.377  0.966  1.0
  O  O20  1  0.183  0.623  0.034  1.0
  O  O21  1  0.445  0.431  0.356  1.0
  O  O22  1  0.981  0.797  0.369  1.0
  O  O23  1  0.623  0.183  0.534  1.0
  O  O24  1  0.431  0.445  0.856  1.0
  O  O25  1  0.797  0.981  0.869  1.0
  O  O26  1  0.084  0.562  0.189  1.0
  O  O27  1  0.562  0.084  0.689  1.0
[/CIF]
.
The structure described by LiNiPO4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. Ni(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(4) atoms to form distorted NiO5 trigonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Ni(1)O5 trigonal bipyramid. 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 three equivalent Ni(1)O5 trigonal bipyramids and  an edgeedge with one Ni(1)O5 trigonal bipyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Ni(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Ni(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Ni(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to two equivalent 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   4.971
_cell_length_b   4.971
_cell_length_c   15.402
_cell_angle_alpha   86.563
_cell_angle_beta   86.563
_cell_angle_gamma   74.794
_symmetry_Int_Tables_number   1
_cell_volume   366.144
_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  0.786  0.669  0.271  1.0
  Li  Li1  1  0.669  0.786  0.771  1.0
  Li  Li2  1  0.331  0.214  0.229  1.0
  Li  Li3  1  0.214  0.331  0.729  1.0
  Ni  Ni4  1  0.930  0.377  0.089  1.0
  Ni  Ni5  1  0.623  0.070  0.411  1.0
  Ni  Ni6  1  0.377  0.930  0.589  1.0
  Ni  Ni7  1  0.070  0.623  0.911  1.0
  P  P8  1  0.299  0.735  0.377  1.0
  P  P9  1  0.265  0.701  0.123  1.0
  P  P10  1  0.735  0.299  0.877  1.0
  P  P11  1  0.701  0.265  0.623  1.0
  O  O12  1  0.438  0.916  0.311  1.0
  O  O13  1  0.916  0.438  0.811  1.0
  O  O14  1  0.203  0.019  0.131  1.0
  O  O15  1  0.569  0.555  0.144  1.0
  O  O16  1  0.377  0.817  0.466  1.0
  O  O17  1  0.019  0.203  0.631  1.0
  O  O18  1  0.555  0.569  0.644  1.0
  O  O19  1  0.817  0.377  0.966  1.0
  O  O20  1  0.183  0.623  0.034  1.0
  O  O21  1  0.445  0.431  0.356  1.0
  O  O22  1  0.981  0.797  0.369  1.0
  O  O23  1  0.623  0.183  0.534  1.0
  O  O24  1  0.431  0.445  0.856  1.0
  O  O25  1  0.797  0.981  0.869  1.0
  O  O26  1  0.084  0.562  0.189  1.0
  O  O27  1  0.562  0.084  0.689  1.0
[/CIF]
.