The material structure described by LiNiPO4 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Ni(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Ni(1) and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent 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 4-coordinate geometry to two equivalent 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   4.975
_cell_length_b   4.977
_cell_length_c   8.258
_cell_angle_alpha   107.490
_cell_angle_beta   90.035
_cell_angle_gamma   119.939
_symmetry_Int_Tables_number   1
_cell_volume   166.188
_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  0.434  0.868  0.303  1.0
  Li  Li1  1  0.141  0.283  0.424  1.0
  Ni  Ni2  1  0.015  0.030  0.045  1.0
  Ni  Ni3  1  0.560  0.120  0.681  1.0
  O  O4  1  0.935  0.866  0.800  1.0
  O  O5  1  0.643  0.286  0.927  1.0
  O  O6  1  0.156  0.972  0.536  1.0
  O  O7  1  0.011  0.431  0.191  1.0
  O  O8  1  0.565  0.720  0.536  1.0
  O  O9  1  0.419  0.180  0.190  1.0
  O  O10  1  0.760  0.771  0.190  1.0
  O  O11  1  0.815  0.380  0.536  1.0
  P  P12  1  0.867  0.734  0.601  1.0
  P  P13  1  0.708  0.417  0.125  1.0
[/CIF]
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The material structure described by LiNiPO4 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Ni(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Ni(1) and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent 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 4-coordinate geometry to two equivalent 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   4.975
_cell_length_b   4.977
_cell_length_c   8.258
_cell_angle_alpha   107.490
_cell_angle_beta   90.035
_cell_angle_gamma   119.939
_symmetry_Int_Tables_number   1
_cell_volume   166.188
_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  0.434  0.868  0.303  1.0
  Li  Li1  1  0.141  0.283  0.424  1.0
  Ni  Ni2  1  0.015  0.030  0.045  1.0
  Ni  Ni3  1  0.560  0.120  0.681  1.0
  O  O4  1  0.935  0.866  0.800  1.0
  O  O5  1  0.643  0.286  0.927  1.0
  O  O6  1  0.156  0.972  0.536  1.0
  O  O7  1  0.011  0.431  0.191  1.0
  O  O8  1  0.565  0.720  0.536  1.0
  O  O9  1  0.419  0.180  0.190  1.0
  O  O10  1  0.760  0.771  0.190  1.0
  O  O11  1  0.815  0.380  0.536  1.0
  P  P12  1  0.867  0.734  0.601  1.0
  P  P13  1  0.708  0.417  0.125  1.0
[/CIF]
.