The compound described by Li2Ni(PO4)2 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(16), one O(5), one O(6), and one O(7) atom. In the second Li site, Li(2) is bonded to one O(1), one O(15), one O(16), one O(3), and one O(5) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 71°. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(14), one O(6), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(10), one O(13), one O(2), and one O(8) atom. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(12), one O(13), one O(14), one O(4), one O(6), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Ni site, Ni(2) is bonded to one O(11), one O(15), one O(16), one O(2), one O(3), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, and  a cornercorner with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 49-51°. In the second P site, P(2) is bonded to one O(16), one O(4), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, and  a cornercorner with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-52°. In the third P site, P(3) is bonded to one O(10), one O(13), one O(14), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, and  a cornercorner with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 49-52°. In the fourth P site, P(4) is bonded to one O(1), one O(12), one O(15), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, and corners with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 48-51°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one P(4) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(4), one Ni(2), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Ni(2), and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Ni(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(2), and one P(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Ni(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Li(3) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(3), one Li(4), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Ni(2) and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(3), one Ni(1), 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(1), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one Li(3), one Ni(1), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(2), one Ni(2), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Ni(2), and one P(2) atom. is represented by the CIF card [CIF]
data_Li2Ni(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.909
_cell_length_b   17.603
_cell_length_c   6.589
_cell_angle_alpha   90.000
_cell_angle_beta   93.581
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   568.245
_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  0.232  0.557  0.220  1.0
  Li  Li1  1  0.775  0.115  0.522  1.0
  Li  Li2  1  0.725  0.615  0.978  1.0
  Li  Li3  1  0.212  0.884  0.522  1.0
  Li  Li4  1  0.813  0.303  0.196  1.0
  Li  Li5  1  0.268  0.057  0.280  1.0
  Li  Li6  1  0.288  0.384  0.978  1.0
  Li  Li7  1  0.687  0.803  0.304  1.0
  Ni  Ni8  1  0.302  0.372  0.490  1.0
  Ni  Ni9  1  0.704  0.630  0.516  1.0
  Ni  Ni10  1  0.198  0.872  0.010  1.0
  Ni  Ni11  1  0.796  0.130  0.984  1.0
  P  P12  1  0.179  0.715  0.282  1.0
  P  P13  1  0.779  0.465  0.277  1.0
  P  P14  1  0.823  0.285  0.716  1.0
  P  P15  1  0.721  0.965  0.223  1.0
  P  P16  1  0.321  0.215  0.218  1.0
  P  P17  1  0.282  0.034  0.778  1.0
  P  P18  1  0.218  0.534  0.722  1.0
  P  P19  1  0.677  0.785  0.784  1.0
  O  O20  1  0.362  0.556  0.930  1.0
  O  O21  1  0.491  0.702  0.312  1.0
  O  O22  1  0.642  0.697  0.764  1.0
  O  O23  1  0.641  0.433  0.463  1.0
  O  O24  1  0.065  0.663  0.111  1.0
  O  O25  1  0.416  0.940  0.221  1.0
  O  O26  1  0.145  0.068  0.962  1.0
  O  O27  1  0.387  0.301  0.254  1.0
  O  O28  1  0.630  0.433  0.084  1.0
  O  O29  1  0.947  0.323  0.911  1.0
  O  O30  1  0.467  0.196  0.023  1.0
  O  O31  1  0.009  0.202  0.188  1.0
  O  O32  1  0.113  0.801  0.246  1.0
  O  O33  1  0.859  0.933  0.037  1.0
  O  O34  1  0.870  0.933  0.416  1.0
  O  O35  1  0.284  0.946  0.784  1.0
  O  O36  1  0.553  0.823  0.589  1.0
  O  O37  1  0.540  0.809  0.980  1.0
  O  O38  1  0.515  0.306  0.695  1.0
  O  O39  1  0.858  0.197  0.736  1.0
  O  O40  1  0.581  0.063  0.777  1.0
  O  O41  1  0.216  0.446  0.716  1.0
  O  O42  1  0.138  0.056  0.570  1.0
  O  O43  1  0.960  0.309  0.520  1.0
  O  O44  1  0.919  0.563  0.723  1.0
  O  O45  1  0.775  0.553  0.277  1.0
  O  O46  1  0.084  0.440  0.279  1.0
  O  O47  1  0.985  0.806  0.805  1.0
  O  O48  1  0.725  0.053  0.223  1.0
  O  O49  1  0.355  0.568  0.538  1.0
  O  O50  1  0.435  0.163  0.389  1.0
  O  O51  1  0.033  0.696  0.477  1.0
[/CIF]
.
The compound described by Li2Ni(PO4)2 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(16), one O(5), one O(6), and one O(7) atom. In the second Li site, Li(2) is bonded to one O(1), one O(15), one O(16), one O(3), and one O(5) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 71°. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(14), one O(6), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(10), one O(13), one O(2), and one O(8) atom. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(12), one O(13), one O(14), one O(4), one O(6), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Ni site, Ni(2) is bonded to one O(11), one O(15), one O(16), one O(2), one O(3), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, and  a cornercorner with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 49-51°. In the second P site, P(2) is bonded to one O(16), one O(4), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, and  a cornercorner with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-52°. In the third P site, P(3) is bonded to one O(10), one O(13), one O(14), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, and  a cornercorner with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 49-52°. In the fourth P site, P(4) is bonded to one O(1), one O(12), one O(15), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, and corners with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 48-51°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one P(4) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(4), one Ni(2), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Ni(2), and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Ni(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(2), and one P(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Ni(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Li(3) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(3), one Li(4), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Ni(2) and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(3), one Ni(1), 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(1), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one Li(3), one Ni(1), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(2), one Ni(2), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Ni(2), and one P(2) atom. is represented by the CIF card [CIF]
data_Li2Ni(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.909
_cell_length_b   17.603
_cell_length_c   6.589
_cell_angle_alpha   90.000
_cell_angle_beta   93.581
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   568.245
_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  0.232  0.557  0.220  1.0
  Li  Li1  1  0.775  0.115  0.522  1.0
  Li  Li2  1  0.725  0.615  0.978  1.0
  Li  Li3  1  0.212  0.884  0.522  1.0
  Li  Li4  1  0.813  0.303  0.196  1.0
  Li  Li5  1  0.268  0.057  0.280  1.0
  Li  Li6  1  0.288  0.384  0.978  1.0
  Li  Li7  1  0.687  0.803  0.304  1.0
  Ni  Ni8  1  0.302  0.372  0.490  1.0
  Ni  Ni9  1  0.704  0.630  0.516  1.0
  Ni  Ni10  1  0.198  0.872  0.010  1.0
  Ni  Ni11  1  0.796  0.130  0.984  1.0
  P  P12  1  0.179  0.715  0.282  1.0
  P  P13  1  0.779  0.465  0.277  1.0
  P  P14  1  0.823  0.285  0.716  1.0
  P  P15  1  0.721  0.965  0.223  1.0
  P  P16  1  0.321  0.215  0.218  1.0
  P  P17  1  0.282  0.034  0.778  1.0
  P  P18  1  0.218  0.534  0.722  1.0
  P  P19  1  0.677  0.785  0.784  1.0
  O  O20  1  0.362  0.556  0.930  1.0
  O  O21  1  0.491  0.702  0.312  1.0
  O  O22  1  0.642  0.697  0.764  1.0
  O  O23  1  0.641  0.433  0.463  1.0
  O  O24  1  0.065  0.663  0.111  1.0
  O  O25  1  0.416  0.940  0.221  1.0
  O  O26  1  0.145  0.068  0.962  1.0
  O  O27  1  0.387  0.301  0.254  1.0
  O  O28  1  0.630  0.433  0.084  1.0
  O  O29  1  0.947  0.323  0.911  1.0
  O  O30  1  0.467  0.196  0.023  1.0
  O  O31  1  0.009  0.202  0.188  1.0
  O  O32  1  0.113  0.801  0.246  1.0
  O  O33  1  0.859  0.933  0.037  1.0
  O  O34  1  0.870  0.933  0.416  1.0
  O  O35  1  0.284  0.946  0.784  1.0
  O  O36  1  0.553  0.823  0.589  1.0
  O  O37  1  0.540  0.809  0.980  1.0
  O  O38  1  0.515  0.306  0.695  1.0
  O  O39  1  0.858  0.197  0.736  1.0
  O  O40  1  0.581  0.063  0.777  1.0
  O  O41  1  0.216  0.446  0.716  1.0
  O  O42  1  0.138  0.056  0.570  1.0
  O  O43  1  0.960  0.309  0.520  1.0
  O  O44  1  0.919  0.563  0.723  1.0
  O  O45  1  0.775  0.553  0.277  1.0
  O  O46  1  0.084  0.440  0.279  1.0
  O  O47  1  0.985  0.806  0.805  1.0
  O  O48  1  0.725  0.053  0.223  1.0
  O  O49  1  0.355  0.568  0.538  1.0
  O  O50  1  0.435  0.163  0.389  1.0
  O  O51  1  0.033  0.696  0.477  1.0
[/CIF]
.