The structure described by LiNiPO4 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted see-saw-like geometry to one O(5), one O(6), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(5), one O(6), one O(7), and one O(8) atom. In the third Li site, Li(3) is bonded to one O(10), one O(14), one O(16), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Ni(1)O4 tetrahedra,  a cornercorner with one Ni(3)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(13), one O(15), one O(4), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Ni(1)O4 tetrahedra,  a cornercorner with one Ni(3)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(10), one O(12), and one O(4) atom to form NiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the second Ni site, Ni(2) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(15), one O(16), one O(6), and one O(8) atom. In the third Ni site, Ni(3) is bonded to one O(11), one O(2), one O(3), and one O(9) atom to form NiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. In the fourth Ni site, Ni(4) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(15), one O(16), one O(5), and one O(7) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(13), one O(3), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Ni(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, and corners with two equivalent Ni(3)O4 tetrahedra. In the second P site, P(2) is bonded to one O(10), one O(14), one O(2), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Ni(3)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and corners with two equivalent Ni(1)O4 tetrahedra. In the third P site, P(3) is bonded to one O(11), one O(15), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra and  a cornercorner with one Ni(3)O4 tetrahedra. In the fourth P site, P(4) is bonded to one O(12), one O(16), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra and  a cornercorner with one Ni(1)O4 tetrahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ni(3) and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(3), one Ni(3), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(4), one Ni(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Ni(4), and one P(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Ni(2), and one P(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Ni(4), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Ni(2), and one P(4) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(4), one Ni(3), and one P(1) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Li(3), one Ni(1), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ni(2), one Ni(3), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ni(1), one Ni(4), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(4), one Ni(4), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(3), one Ni(2), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Li(4), one Ni(2), one Ni(4), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(3), one Ni(2), one Ni(4), and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiNiPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.156
_cell_length_b   8.658
_cell_length_c   7.778
_cell_angle_alpha   101.337
_cell_angle_beta   90.237
_cell_angle_gamma   90.024
_symmetry_Int_Tables_number   1
_cell_volume   340.422
_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  0.562  0.912  0.007  1.0
  Li  Li1  1  0.067  0.090  0.992  1.0
  Li  Li2  1  0.475  0.681  0.535  1.0
  Li  Li3  1  0.977  0.319  0.464  1.0
  Ni  Ni4  1  0.465  0.409  0.799  1.0
  Ni  Ni5  1  0.018  0.912  0.624  1.0
  Ni  Ni6  1  0.964  0.592  0.201  1.0
  Ni  Ni7  1  0.519  0.088  0.377  1.0
  P  P8  1  0.472  0.412  0.233  1.0
  P  P9  1  0.973  0.588  0.767  1.0
  P  P10  1  0.055  0.958  0.287  1.0
  P  P11  1  0.557  0.042  0.714  1.0
  O  O12  1  0.497  0.356  0.032  1.0
  O  O13  1  0.001  0.643  0.968  1.0
  O  O14  1  0.608  0.574  0.295  1.0
  O  O15  1  0.109  0.426  0.704  1.0
  O  O16  1  0.794  0.981  0.201  1.0
  O  O17  1  0.298  0.017  0.800  1.0
  O  O18  1  0.276  0.989  0.163  1.0
  O  O19  1  0.780  0.012  0.838  1.0
  O  O20  1  0.177  0.427  0.285  1.0
  O  O21  1  0.678  0.573  0.714  1.0
  O  O22  1  0.081  0.797  0.346  1.0
  O  O23  1  0.580  0.203  0.655  1.0
  O  O24  1  0.608  0.294  0.329  1.0
  O  O25  1  0.108  0.706  0.671  1.0
  O  O26  1  0.092  0.085  0.460  1.0
  O  O27  1  0.593  0.915  0.541  1.0
[/CIF]
.
The structure described by LiNiPO4 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted see-saw-like geometry to one O(5), one O(6), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(5), one O(6), one O(7), and one O(8) atom. In the third Li site, Li(3) is bonded to one O(10), one O(14), one O(16), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Ni(1)O4 tetrahedra,  a cornercorner with one Ni(3)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(13), one O(15), one O(4), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Ni(1)O4 tetrahedra,  a cornercorner with one Ni(3)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(10), one O(12), and one O(4) atom to form NiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the second Ni site, Ni(2) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(15), one O(16), one O(6), and one O(8) atom. In the third Ni site, Ni(3) is bonded to one O(11), one O(2), one O(3), and one O(9) atom to form NiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. In the fourth Ni site, Ni(4) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(15), one O(16), one O(5), and one O(7) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(13), one O(3), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Ni(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, and corners with two equivalent Ni(3)O4 tetrahedra. In the second P site, P(2) is bonded to one O(10), one O(14), one O(2), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Ni(3)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and corners with two equivalent Ni(1)O4 tetrahedra. In the third P site, P(3) is bonded to one O(11), one O(15), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra and  a cornercorner with one Ni(3)O4 tetrahedra. In the fourth P site, P(4) is bonded to one O(12), one O(16), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra and  a cornercorner with one Ni(1)O4 tetrahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ni(3) and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(3), one Ni(3), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(4), one Ni(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Ni(4), and one P(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Ni(2), and one P(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Ni(4), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Ni(2), and one P(4) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(4), one Ni(3), and one P(1) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Li(3), one Ni(1), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ni(2), one Ni(3), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ni(1), one Ni(4), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(4), one Ni(4), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(3), one Ni(2), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Li(4), one Ni(2), one Ni(4), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(3), one Ni(2), one Ni(4), and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiNiPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.156
_cell_length_b   8.658
_cell_length_c   7.778
_cell_angle_alpha   101.337
_cell_angle_beta   90.237
_cell_angle_gamma   90.024
_symmetry_Int_Tables_number   1
_cell_volume   340.422
_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  0.562  0.912  0.007  1.0
  Li  Li1  1  0.067  0.090  0.992  1.0
  Li  Li2  1  0.475  0.681  0.535  1.0
  Li  Li3  1  0.977  0.319  0.464  1.0
  Ni  Ni4  1  0.465  0.409  0.799  1.0
  Ni  Ni5  1  0.018  0.912  0.624  1.0
  Ni  Ni6  1  0.964  0.592  0.201  1.0
  Ni  Ni7  1  0.519  0.088  0.377  1.0
  P  P8  1  0.472  0.412  0.233  1.0
  P  P9  1  0.973  0.588  0.767  1.0
  P  P10  1  0.055  0.958  0.287  1.0
  P  P11  1  0.557  0.042  0.714  1.0
  O  O12  1  0.497  0.356  0.032  1.0
  O  O13  1  0.001  0.643  0.968  1.0
  O  O14  1  0.608  0.574  0.295  1.0
  O  O15  1  0.109  0.426  0.704  1.0
  O  O16  1  0.794  0.981  0.201  1.0
  O  O17  1  0.298  0.017  0.800  1.0
  O  O18  1  0.276  0.989  0.163  1.0
  O  O19  1  0.780  0.012  0.838  1.0
  O  O20  1  0.177  0.427  0.285  1.0
  O  O21  1  0.678  0.573  0.714  1.0
  O  O22  1  0.081  0.797  0.346  1.0
  O  O23  1  0.580  0.203  0.655  1.0
  O  O24  1  0.608  0.294  0.329  1.0
  O  O25  1  0.108  0.706  0.671  1.0
  O  O26  1  0.092  0.085  0.460  1.0
  O  O27  1  0.593  0.915  0.541  1.0
[/CIF]
.