The structure described by LiNiPO4 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a distorted trigonal non-coplanar geometry to one O(4) and two equivalent O(3) atoms. Ni(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(2) atoms to form NiO5 trigonal bipyramids that share corners with five equivalent P(1)O4 tetrahedra and edges with two equivalent Ni(1)O5 trigonal bipyramids. 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 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 two equivalent Ni(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ni(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar 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   4.486
_cell_length_b   5.169
_cell_length_c   7.387
_cell_angle_alpha   90.227
_cell_angle_beta   103.137
_cell_angle_gamma   102.108
_symmetry_Int_Tables_number   1
_cell_volume   162.849
_cell_formula_units_Z   2
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  0.736  0.711  0.986  1.0
  Li  Li1  1  0.264  0.289  0.014  1.0
  Ni  Ni2  1  0.969  0.760  0.593  1.0
  Ni  Ni3  1  0.031  0.240  0.407  1.0
  O  O4  1  0.166  0.624  0.384  1.0
  O  O5  1  0.834  0.376  0.616  1.0
  O  O6  1  0.305  0.090  0.617  1.0
  O  O7  1  0.695  0.910  0.383  1.0
  O  O8  1  0.648  0.333  0.917  1.0
  O  O9  1  0.352  0.667  0.083  1.0
  O  O10  1  0.203  0.058  0.216  1.0
  O  O11  1  0.797  0.942  0.784  1.0
  P  P12  1  0.354  0.815  0.264  1.0
  P  P13  1  0.646  0.185  0.736  1.0
[/CIF]
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The structure described by LiNiPO4 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a distorted trigonal non-coplanar geometry to one O(4) and two equivalent O(3) atoms. Ni(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(2) atoms to form NiO5 trigonal bipyramids that share corners with five equivalent P(1)O4 tetrahedra and edges with two equivalent Ni(1)O5 trigonal bipyramids. 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 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 two equivalent Ni(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ni(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar 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   4.486
_cell_length_b   5.169
_cell_length_c   7.387
_cell_angle_alpha   90.227
_cell_angle_beta   103.137
_cell_angle_gamma   102.108
_symmetry_Int_Tables_number   1
_cell_volume   162.849
_cell_formula_units_Z   2
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  0.736  0.711  0.986  1.0
  Li  Li1  1  0.264  0.289  0.014  1.0
  Ni  Ni2  1  0.969  0.760  0.593  1.0
  Ni  Ni3  1  0.031  0.240  0.407  1.0
  O  O4  1  0.166  0.624  0.384  1.0
  O  O5  1  0.834  0.376  0.616  1.0
  O  O6  1  0.305  0.090  0.617  1.0
  O  O7  1  0.695  0.910  0.383  1.0
  O  O8  1  0.648  0.333  0.917  1.0
  O  O9  1  0.352  0.667  0.083  1.0
  O  O10  1  0.203  0.058  0.216  1.0
  O  O11  1  0.797  0.942  0.784  1.0
  P  P12  1  0.354  0.815  0.264  1.0
  P  P13  1  0.646  0.185  0.736  1.0
[/CIF]
.