The material structure described by Li5Ni2(PO4)3 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(3), and one O(4) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 68°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-67°. In the third Li site, Li(3) is bonded to one O(12), one O(4), one O(5), and one O(9) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-68°. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(2), one O(6), and two equivalent O(11) atoms. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(9), and two equivalent O(8) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the second Ni site, Ni(2) is bonded to one O(10), one O(11), one O(12), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  a cornercorner with one Li(3)O4 trigonal pyramid. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(2), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and  a cornercorner with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 19-55°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and  a cornercorner with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 24-53°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(5), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, and corners with two equivalent Li(3)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 26-51°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Ni(1), and one P(1) atom to form distorted corner-sharing OLi2NiP tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(4), one Ni(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(1), and one P(2) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Ni(1), and one P(2) atom to form distorted corner-sharing OLi2NiP trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Ni(1), and one P(3) atom to form distorted corner-sharing OLi2NiP trigonal pyramids. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Li(4), one Ni(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Ni(2), and one P(2) atom. In the eighth O site, O(8) is bonded to two equivalent Li(5), one Ni(2), and one P(2) atom to form a mixture of distorted edge and corner-sharing OLi2NiP trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(5), one Ni(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one Ni(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Li(5), two equivalent Li(4), one Ni(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(3), one Li(5), one Ni(2), and one P(1) atom. is represented by the CIF file [CIF]
data_Li5Ni2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.319
_cell_length_b   8.359
_cell_length_c   9.175
_cell_angle_alpha   63.420
_cell_angle_beta   63.340
_cell_angle_gamma   60.194
_symmetry_Int_Tables_number   1
_cell_volume   473.569
_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  0.272  0.927  0.133  1.0
  Li  Li1  1  0.923  0.687  0.112  1.0
  Li  Li2  1  0.693  0.275  0.102  1.0
  Li  Li3  1  0.900  0.462  0.420  1.0
  Li  Li4  1  0.484  0.214  0.409  1.0
  Li  Li5  1  0.516  0.786  0.591  1.0
  Li  Li6  1  0.100  0.538  0.580  1.0
  Li  Li7  1  0.307  0.725  0.898  1.0
  Li  Li8  1  0.077  0.313  0.888  1.0
  Li  Li9  1  0.728  0.073  0.867  1.0
  Ni  Ni10  1  0.654  0.654  0.043  1.0
  Ni  Ni11  1  0.143  0.127  0.576  1.0
  Ni  Ni12  1  0.857  0.873  0.424  1.0
  Ni  Ni13  1  0.346  0.346  0.957  1.0
  P  P14  1  0.955  0.255  0.248  1.0
  P  P15  1  0.547  0.958  0.243  1.0
  P  P16  1  0.254  0.545  0.243  1.0
  P  P17  1  0.746  0.455  0.757  1.0
  P  P18  1  0.453  0.042  0.757  1.0
  P  P19  1  0.045  0.745  0.752  1.0
  O  O20  1  0.144  0.206  0.098  1.0
  O  O21  1  0.835  0.475  0.205  1.0
  O  O22  1  0.499  0.837  0.194  1.0
  O  O23  1  0.548  0.152  0.098  1.0
  O  O24  1  0.200  0.544  0.101  1.0
  O  O25  1  0.999  0.201  0.412  1.0
  O  O26  1  0.754  0.845  0.267  1.0
  O  O27  1  0.406  1.000  0.413  1.0
  O  O28  1  0.475  0.484  0.199  1.0
  O  O29  1  0.139  0.748  0.266  1.0
  O  O30  1  0.193  0.398  0.416  1.0
  O  O31  1  0.837  0.146  0.268  1.0
  O  O32  1  0.163  0.854  0.732  1.0
  O  O33  1  0.807  0.602  0.584  1.0
  O  O34  1  0.861  0.252  0.734  1.0
  O  O35  1  0.525  0.516  0.801  1.0
  O  O36  1  0.594  0.000  0.587  1.0
  O  O37  1  0.246  0.155  0.733  1.0
  O  O38  1  0.001  0.799  0.588  1.0
  O  O39  1  0.800  0.456  0.899  1.0
  O  O40  1  0.452  0.848  0.902  1.0
  O  O41  1  0.501  0.163  0.806  1.0
  O  O42  1  0.165  0.525  0.795  1.0
  O  O43  1  0.856  0.794  0.902  1.0
[/CIF]
.
The material structure described by Li5Ni2(PO4)3 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(3), and one O(4) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 68°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-67°. In the third Li site, Li(3) is bonded to one O(12), one O(4), one O(5), and one O(9) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-68°. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(2), one O(6), and two equivalent O(11) atoms. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(9), and two equivalent O(8) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the second Ni site, Ni(2) is bonded to one O(10), one O(11), one O(12), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  a cornercorner with one Li(3)O4 trigonal pyramid. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(2), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and  a cornercorner with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 19-55°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and  a cornercorner with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 24-53°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(5), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, and corners with two equivalent Li(3)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 26-51°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Ni(1), and one P(1) atom to form distorted corner-sharing OLi2NiP tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(4), one Ni(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(1), and one P(2) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Ni(1), and one P(2) atom to form distorted corner-sharing OLi2NiP trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Ni(1), and one P(3) atom to form distorted corner-sharing OLi2NiP trigonal pyramids. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Li(4), one Ni(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Ni(2), and one P(2) atom. In the eighth O site, O(8) is bonded to two equivalent Li(5), one Ni(2), and one P(2) atom to form a mixture of distorted edge and corner-sharing OLi2NiP trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(5), one Ni(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one Ni(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Li(5), two equivalent Li(4), one Ni(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(3), one Li(5), one Ni(2), and one P(1) atom. is represented by the CIF file [CIF]
data_Li5Ni2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.319
_cell_length_b   8.359
_cell_length_c   9.175
_cell_angle_alpha   63.420
_cell_angle_beta   63.340
_cell_angle_gamma   60.194
_symmetry_Int_Tables_number   1
_cell_volume   473.569
_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  0.272  0.927  0.133  1.0
  Li  Li1  1  0.923  0.687  0.112  1.0
  Li  Li2  1  0.693  0.275  0.102  1.0
  Li  Li3  1  0.900  0.462  0.420  1.0
  Li  Li4  1  0.484  0.214  0.409  1.0
  Li  Li5  1  0.516  0.786  0.591  1.0
  Li  Li6  1  0.100  0.538  0.580  1.0
  Li  Li7  1  0.307  0.725  0.898  1.0
  Li  Li8  1  0.077  0.313  0.888  1.0
  Li  Li9  1  0.728  0.073  0.867  1.0
  Ni  Ni10  1  0.654  0.654  0.043  1.0
  Ni  Ni11  1  0.143  0.127  0.576  1.0
  Ni  Ni12  1  0.857  0.873  0.424  1.0
  Ni  Ni13  1  0.346  0.346  0.957  1.0
  P  P14  1  0.955  0.255  0.248  1.0
  P  P15  1  0.547  0.958  0.243  1.0
  P  P16  1  0.254  0.545  0.243  1.0
  P  P17  1  0.746  0.455  0.757  1.0
  P  P18  1  0.453  0.042  0.757  1.0
  P  P19  1  0.045  0.745  0.752  1.0
  O  O20  1  0.144  0.206  0.098  1.0
  O  O21  1  0.835  0.475  0.205  1.0
  O  O22  1  0.499  0.837  0.194  1.0
  O  O23  1  0.548  0.152  0.098  1.0
  O  O24  1  0.200  0.544  0.101  1.0
  O  O25  1  0.999  0.201  0.412  1.0
  O  O26  1  0.754  0.845  0.267  1.0
  O  O27  1  0.406  1.000  0.413  1.0
  O  O28  1  0.475  0.484  0.199  1.0
  O  O29  1  0.139  0.748  0.266  1.0
  O  O30  1  0.193  0.398  0.416  1.0
  O  O31  1  0.837  0.146  0.268  1.0
  O  O32  1  0.163  0.854  0.732  1.0
  O  O33  1  0.807  0.602  0.584  1.0
  O  O34  1  0.861  0.252  0.734  1.0
  O  O35  1  0.525  0.516  0.801  1.0
  O  O36  1  0.594  0.000  0.587  1.0
  O  O37  1  0.246  0.155  0.733  1.0
  O  O38  1  0.001  0.799  0.588  1.0
  O  O39  1  0.800  0.456  0.899  1.0
  O  O40  1  0.452  0.848  0.902  1.0
  O  O41  1  0.501  0.163  0.806  1.0
  O  O42  1  0.165  0.525  0.795  1.0
  O  O43  1  0.856  0.794  0.902  1.0
[/CIF]
.