The compound described by LiNi4(PO4)3 crystallizes in the monoclinic Cc space group. Li(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(11) and two equivalent O(2) atoms. 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), one O(2), one O(5), and one O(6) atom to form NiO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, and  an edgeedge with one Ni(4)O6 octahedra. In the second Ni site, Ni(2) is bonded to one O(10), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form distorted NiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one Ni(4)O6 octahedra. In the third Ni site, Ni(3) is bonded in a 5-coordinate geometry to one O(5), one O(8), one O(9), and two equivalent O(4) atoms. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(11), one O(12), one O(3), one O(7), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one Ni(2)O6 octahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(2), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, and corners with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-63°. In the second P site, P(2) is bonded to one O(5), one O(6), 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, and corners with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. In the third P site, P(3) is bonded to one O(11), one O(12), one O(3), and one O(9) 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 three equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-60°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ni(1), one Ni(4), and one P(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Ni(1), and one P(1) atom to form distorted corner-sharing OLi2NiP trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ni(2), one Ni(4), and one P(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ni(2), two equivalent Ni(3), and one P(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Ni(1), one Ni(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ni(2), one Ni(4), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ni(3), one Ni(4), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Ni(2), one Ni(3), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Ni(4), 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(3) atom. is represented by the CIF file [CIF]
data_LiNi4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.511
_cell_length_b   8.511
_cell_length_c   6.422
_cell_angle_alpha   72.757
_cell_angle_beta   72.757
_cell_angle_gamma   93.957
_symmetry_Int_Tables_number   1
_cell_volume   417.995
_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  0.983  0.021  0.749  1.0
  Li  Li1  1  0.021  0.983  0.249  1.0
  Ni  Ni2  1  0.945  0.625  0.631  1.0
  Ni  Ni3  1  0.625  0.945  0.131  1.0
  Ni  Ni4  1  0.262  0.736  0.753  1.0
  Ni  Ni5  1  0.501  0.517  0.523  1.0
  Ni  Ni6  1  0.736  0.262  0.253  1.0
  Ni  Ni7  1  0.517  0.501  0.023  1.0
  Ni  Ni8  1  0.376  0.058  0.865  1.0
  Ni  Ni9  1  0.058  0.376  0.365  1.0
  P  P10  1  0.665  0.877  0.628  1.0
  P  P11  1  0.877  0.665  0.128  1.0
  P  P12  1  0.703  0.299  0.751  1.0
  P  P13  1  0.299  0.703  0.251  1.0
  P  P14  1  0.122  0.338  0.869  1.0
  P  P15  1  0.338  0.122  0.369  1.0
  O  O16  1  0.601  0.954  0.820  1.0
  O  O17  1  0.846  0.845  0.600  1.0
  O  O18  1  0.954  0.601  0.320  1.0
  O  O19  1  0.845  0.846  0.100  1.0
  O  O20  1  0.331  0.995  0.604  1.0
  O  O21  1  0.536  0.710  0.696  1.0
  O  O22  1  0.722  0.477  0.774  1.0
  O  O23  1  0.995  0.331  0.104  1.0
  O  O24  1  0.734  0.185  0.967  1.0
  O  O25  1  0.814  0.268  0.533  1.0
  O  O26  1  0.710  0.536  0.196  1.0
  O  O27  1  0.477  0.722  0.274  1.0
  O  O28  1  0.523  0.286  0.732  1.0
  O  O29  1  0.282  0.472  0.805  1.0
  O  O30  1  0.185  0.734  0.467  1.0
  O  O31  1  0.268  0.814  0.033  1.0
  O  O32  1  0.003  0.670  0.895  1.0
  O  O33  1  0.286  0.523  0.232  1.0
  O  O34  1  0.472  0.282  0.305  1.0
  O  O35  1  0.670  0.003  0.395  1.0
  O  O36  1  0.157  0.158  0.897  1.0
  O  O37  1  0.043  0.398  0.678  1.0
  O  O38  1  0.158  0.157  0.397  1.0
  O  O39  1  0.398  0.043  0.178  1.0
[/CIF]
.
The compound described by LiNi4(PO4)3 crystallizes in the monoclinic Cc space group. Li(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(11) and two equivalent O(2) atoms. 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), one O(2), one O(5), and one O(6) atom to form NiO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, and  an edgeedge with one Ni(4)O6 octahedra. In the second Ni site, Ni(2) is bonded to one O(10), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form distorted NiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one Ni(4)O6 octahedra. In the third Ni site, Ni(3) is bonded in a 5-coordinate geometry to one O(5), one O(8), one O(9), and two equivalent O(4) atoms. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(11), one O(12), one O(3), one O(7), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one Ni(2)O6 octahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(2), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, and corners with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-63°. In the second P site, P(2) is bonded to one O(5), one O(6), 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, and corners with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. In the third P site, P(3) is bonded to one O(11), one O(12), one O(3), and one O(9) 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 three equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-60°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ni(1), one Ni(4), and one P(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Ni(1), and one P(1) atom to form distorted corner-sharing OLi2NiP trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ni(2), one Ni(4), and one P(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ni(2), two equivalent Ni(3), and one P(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Ni(1), one Ni(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ni(2), one Ni(4), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ni(3), one Ni(4), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Ni(2), one Ni(3), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Ni(4), 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(3) atom. is represented by the CIF file [CIF]
data_LiNi4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.511
_cell_length_b   8.511
_cell_length_c   6.422
_cell_angle_alpha   72.757
_cell_angle_beta   72.757
_cell_angle_gamma   93.957
_symmetry_Int_Tables_number   1
_cell_volume   417.995
_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  0.983  0.021  0.749  1.0
  Li  Li1  1  0.021  0.983  0.249  1.0
  Ni  Ni2  1  0.945  0.625  0.631  1.0
  Ni  Ni3  1  0.625  0.945  0.131  1.0
  Ni  Ni4  1  0.262  0.736  0.753  1.0
  Ni  Ni5  1  0.501  0.517  0.523  1.0
  Ni  Ni6  1  0.736  0.262  0.253  1.0
  Ni  Ni7  1  0.517  0.501  0.023  1.0
  Ni  Ni8  1  0.376  0.058  0.865  1.0
  Ni  Ni9  1  0.058  0.376  0.365  1.0
  P  P10  1  0.665  0.877  0.628  1.0
  P  P11  1  0.877  0.665  0.128  1.0
  P  P12  1  0.703  0.299  0.751  1.0
  P  P13  1  0.299  0.703  0.251  1.0
  P  P14  1  0.122  0.338  0.869  1.0
  P  P15  1  0.338  0.122  0.369  1.0
  O  O16  1  0.601  0.954  0.820  1.0
  O  O17  1  0.846  0.845  0.600  1.0
  O  O18  1  0.954  0.601  0.320  1.0
  O  O19  1  0.845  0.846  0.100  1.0
  O  O20  1  0.331  0.995  0.604  1.0
  O  O21  1  0.536  0.710  0.696  1.0
  O  O22  1  0.722  0.477  0.774  1.0
  O  O23  1  0.995  0.331  0.104  1.0
  O  O24  1  0.734  0.185  0.967  1.0
  O  O25  1  0.814  0.268  0.533  1.0
  O  O26  1  0.710  0.536  0.196  1.0
  O  O27  1  0.477  0.722  0.274  1.0
  O  O28  1  0.523  0.286  0.732  1.0
  O  O29  1  0.282  0.472  0.805  1.0
  O  O30  1  0.185  0.734  0.467  1.0
  O  O31  1  0.268  0.814  0.033  1.0
  O  O32  1  0.003  0.670  0.895  1.0
  O  O33  1  0.286  0.523  0.232  1.0
  O  O34  1  0.472  0.282  0.305  1.0
  O  O35  1  0.670  0.003  0.395  1.0
  O  O36  1  0.157  0.158  0.897  1.0
  O  O37  1  0.043  0.398  0.678  1.0
  O  O38  1  0.158  0.157  0.397  1.0
  O  O39  1  0.398  0.043  0.178  1.0
[/CIF]
.