The material structure described by LiNi5P3O13 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a distorted trigonal non-coplanar geometry to one O(12), one O(2), and one O(7) atom. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(3), one O(4), one O(6), one O(8), and one O(9) 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 two equivalent P(3)O4 tetrahedra,  a cornercorner with one Ni(2)O5 trigonal bipyramid,  a cornercorner with one Ni(3)O5 trigonal bipyramid, edges with two equivalent Ni(5)O6 octahedra,  an edgeedge with one Ni(2)O5 trigonal bipyramid, and  an edgeedge with one Ni(4)O5 trigonal bipyramid. In the second Ni site, Ni(2) is bonded to one O(13), one O(3), one O(4), one O(5), and one O(9) atom to form NiO5 trigonal bipyramids that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  a cornercorner with one Ni(3)O5 trigonal bipyramid,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, and  an edgeedge with one Ni(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-71°. In the third Ni site, Ni(3) is bonded to one O(12), one O(13), one O(2), one O(6), and one O(7) atom to form distorted NiO5 trigonal bipyramids that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a cornercorner with one Ni(2)O5 trigonal bipyramid, and  an edgeedge with one Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles are 73°. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(10), one O(11), one O(5), and one O(9) atom to form NiO5 trigonal bipyramids that share  a cornercorner with one P(3)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, and  an edgeedge with one Ni(2)O5 trigonal bipyramid. In the fifth Ni site, Ni(5) is bonded to one O(11), one O(13), one O(4), one O(6), one O(8), and one O(9) atom to form distorted NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Ni(2)O5 trigonal bipyramid, edges with two equivalent Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O5 trigonal bipyramid,  an edgeedge with one Ni(3)O5 trigonal bipyramid, and  an edgeedge with one Ni(4)O5 trigonal bipyramid. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(11), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(2)O5 trigonal bipyramid,  a cornercorner with one Ni(3)O5 trigonal bipyramid, and corners with three equivalent Ni(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 44-51°. In the second P site, P(2) is bonded to one O(12), one O(2), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra, and corners with three equivalent Ni(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 50-62°. In the third P site, P(3) is bonded to one O(10), one O(13), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra,  a cornercorner with one Ni(3)O5 trigonal bipyramid,  a cornercorner with one Ni(4)O5 trigonal bipyramid, and corners with three equivalent Ni(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 38-64°. There are thirteen 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 in a distorted trigonal planar geometry to one Li(1), 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 Ni(1), one Ni(2), and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Ni(1), one Ni(2), one Ni(5), and one P(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ni(2), one Ni(4), and one P(1) atom. In the sixth O site, O(6) is bonded to one Ni(1), one Ni(3), one Ni(5), and one P(2) atom to form distorted ONi3P tetrahedra that share corners with two equivalent O(9)Ni4 tetrahedra and  an edgeedge with one O(13)Ni3P tetrahedra. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(1), one Ni(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ni(1), one Ni(5), and one P(2) atom. In the ninth O site, O(9) is bonded to one Ni(1), one Ni(2), one Ni(4), and one Ni(5) atom to form corner-sharing ONi4 tetrahedra. In the tenth O site, O(10) is bonded in a linear geometry to one Ni(4) and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ni(4), one Ni(5), and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(3), and one P(2) atom. In the thirteenth O site, O(13) is bonded to one Ni(2), one Ni(3), one Ni(5), and one P(3) atom to form distorted ONi3P tetrahedra that share corners with two equivalent O(9)Ni4 tetrahedra and  an edgeedge with one O(6)Ni3P tetrahedra. is represented by the CIF card [CIF]
data_LiNi5P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.027
_cell_length_b   8.414
_cell_length_c   9.765
_cell_angle_alpha   96.629
_cell_angle_beta   95.759
_cell_angle_gamma   90.101
_symmetry_Int_Tables_number   1
_cell_volume   489.381
_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  0.222  0.421  0.452  1.0
  Li  Li1  1  0.778  0.579  0.548  1.0
  Ni  Ni2  1  0.018  0.117  0.779  1.0
  Ni  Ni3  1  0.268  0.850  0.926  1.0
  Ni  Ni4  1  0.285  0.794  0.617  1.0
  Ni  Ni5  1  0.228  0.587  0.106  1.0
  Ni  Ni6  1  0.524  0.118  0.767  1.0
  Ni  Ni7  1  0.476  0.882  0.233  1.0
  Ni  Ni8  1  0.772  0.413  0.894  1.0
  Ni  Ni9  1  0.715  0.206  0.383  1.0
  Ni  Ni10  1  0.732  0.150  0.074  1.0
  Ni  Ni11  1  0.982  0.883  0.221  1.0
  P  P12  1  0.261  0.471  0.770  1.0
  P  P13  1  0.241  0.114  0.480  1.0
  P  P14  1  0.250  0.183  0.108  1.0
  P  P15  1  0.750  0.817  0.892  1.0
  P  P16  1  0.759  0.886  0.520  1.0
  P  P17  1  0.739  0.529  0.230  1.0
  O  O18  1  0.047  0.365  0.766  1.0
  O  O19  1  0.034  0.220  0.460  1.0
  O  O20  1  0.040  0.114  0.162  1.0
  O  O21  1  0.276  0.112  0.953  1.0
  O  O22  1  0.274  0.600  0.899  1.0
  O  O23  1  0.255  0.051  0.630  1.0
  O  O24  1  0.253  0.556  0.636  1.0
  O  O25  1  0.243  0.960  0.377  1.0
  O  O26  1  0.214  0.816  0.108  1.0
  O  O27  1  0.239  0.362  0.130  1.0
  O  O28  1  0.469  0.362  0.781  1.0
  O  O29  1  0.438  0.230  0.475  1.0
  O  O30  1  0.528  0.875  0.807  1.0
  O  O31  1  0.472  0.125  0.193  1.0
  O  O32  1  0.562  0.770  0.525  1.0
  O  O33  1  0.531  0.638  0.219  1.0
  O  O34  1  0.761  0.638  0.870  1.0
  O  O35  1  0.786  0.184  0.892  1.0
  O  O36  1  0.757  0.040  0.623  1.0
  O  O37  1  0.747  0.444  0.364  1.0
  O  O38  1  0.745  0.949  0.370  1.0
  O  O39  1  0.726  0.400  0.101  1.0
  O  O40  1  0.724  0.888  0.047  1.0
  O  O41  1  0.960  0.886  0.838  1.0
  O  O42  1  0.966  0.780  0.540  1.0
  O  O43  1  0.953  0.635  0.234  1.0
[/CIF]
.
The material structure described by LiNi5P3O13 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a distorted trigonal non-coplanar geometry to one O(12), one O(2), and one O(7) atom. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(3), one O(4), one O(6), one O(8), and one O(9) 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 two equivalent P(3)O4 tetrahedra,  a cornercorner with one Ni(2)O5 trigonal bipyramid,  a cornercorner with one Ni(3)O5 trigonal bipyramid, edges with two equivalent Ni(5)O6 octahedra,  an edgeedge with one Ni(2)O5 trigonal bipyramid, and  an edgeedge with one Ni(4)O5 trigonal bipyramid. In the second Ni site, Ni(2) is bonded to one O(13), one O(3), one O(4), one O(5), and one O(9) atom to form NiO5 trigonal bipyramids that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  a cornercorner with one Ni(3)O5 trigonal bipyramid,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, and  an edgeedge with one Ni(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-71°. In the third Ni site, Ni(3) is bonded to one O(12), one O(13), one O(2), one O(6), and one O(7) atom to form distorted NiO5 trigonal bipyramids that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a cornercorner with one Ni(2)O5 trigonal bipyramid, and  an edgeedge with one Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles are 73°. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(10), one O(11), one O(5), and one O(9) atom to form NiO5 trigonal bipyramids that share  a cornercorner with one P(3)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, and  an edgeedge with one Ni(2)O5 trigonal bipyramid. In the fifth Ni site, Ni(5) is bonded to one O(11), one O(13), one O(4), one O(6), one O(8), and one O(9) atom to form distorted NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Ni(2)O5 trigonal bipyramid, edges with two equivalent Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O5 trigonal bipyramid,  an edgeedge with one Ni(3)O5 trigonal bipyramid, and  an edgeedge with one Ni(4)O5 trigonal bipyramid. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(11), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(2)O5 trigonal bipyramid,  a cornercorner with one Ni(3)O5 trigonal bipyramid, and corners with three equivalent Ni(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 44-51°. In the second P site, P(2) is bonded to one O(12), one O(2), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra, and corners with three equivalent Ni(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 50-62°. In the third P site, P(3) is bonded to one O(10), one O(13), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra,  a cornercorner with one Ni(3)O5 trigonal bipyramid,  a cornercorner with one Ni(4)O5 trigonal bipyramid, and corners with three equivalent Ni(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 38-64°. There are thirteen 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 in a distorted trigonal planar geometry to one Li(1), 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 Ni(1), one Ni(2), and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Ni(1), one Ni(2), one Ni(5), and one P(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ni(2), one Ni(4), and one P(1) atom. In the sixth O site, O(6) is bonded to one Ni(1), one Ni(3), one Ni(5), and one P(2) atom to form distorted ONi3P tetrahedra that share corners with two equivalent O(9)Ni4 tetrahedra and  an edgeedge with one O(13)Ni3P tetrahedra. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(1), one Ni(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ni(1), one Ni(5), and one P(2) atom. In the ninth O site, O(9) is bonded to one Ni(1), one Ni(2), one Ni(4), and one Ni(5) atom to form corner-sharing ONi4 tetrahedra. In the tenth O site, O(10) is bonded in a linear geometry to one Ni(4) and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ni(4), one Ni(5), and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(3), and one P(2) atom. In the thirteenth O site, O(13) is bonded to one Ni(2), one Ni(3), one Ni(5), and one P(3) atom to form distorted ONi3P tetrahedra that share corners with two equivalent O(9)Ni4 tetrahedra and  an edgeedge with one O(6)Ni3P tetrahedra. is represented by the CIF card [CIF]
data_LiNi5P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.027
_cell_length_b   8.414
_cell_length_c   9.765
_cell_angle_alpha   96.629
_cell_angle_beta   95.759
_cell_angle_gamma   90.101
_symmetry_Int_Tables_number   1
_cell_volume   489.381
_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  0.222  0.421  0.452  1.0
  Li  Li1  1  0.778  0.579  0.548  1.0
  Ni  Ni2  1  0.018  0.117  0.779  1.0
  Ni  Ni3  1  0.268  0.850  0.926  1.0
  Ni  Ni4  1  0.285  0.794  0.617  1.0
  Ni  Ni5  1  0.228  0.587  0.106  1.0
  Ni  Ni6  1  0.524  0.118  0.767  1.0
  Ni  Ni7  1  0.476  0.882  0.233  1.0
  Ni  Ni8  1  0.772  0.413  0.894  1.0
  Ni  Ni9  1  0.715  0.206  0.383  1.0
  Ni  Ni10  1  0.732  0.150  0.074  1.0
  Ni  Ni11  1  0.982  0.883  0.221  1.0
  P  P12  1  0.261  0.471  0.770  1.0
  P  P13  1  0.241  0.114  0.480  1.0
  P  P14  1  0.250  0.183  0.108  1.0
  P  P15  1  0.750  0.817  0.892  1.0
  P  P16  1  0.759  0.886  0.520  1.0
  P  P17  1  0.739  0.529  0.230  1.0
  O  O18  1  0.047  0.365  0.766  1.0
  O  O19  1  0.034  0.220  0.460  1.0
  O  O20  1  0.040  0.114  0.162  1.0
  O  O21  1  0.276  0.112  0.953  1.0
  O  O22  1  0.274  0.600  0.899  1.0
  O  O23  1  0.255  0.051  0.630  1.0
  O  O24  1  0.253  0.556  0.636  1.0
  O  O25  1  0.243  0.960  0.377  1.0
  O  O26  1  0.214  0.816  0.108  1.0
  O  O27  1  0.239  0.362  0.130  1.0
  O  O28  1  0.469  0.362  0.781  1.0
  O  O29  1  0.438  0.230  0.475  1.0
  O  O30  1  0.528  0.875  0.807  1.0
  O  O31  1  0.472  0.125  0.193  1.0
  O  O32  1  0.562  0.770  0.525  1.0
  O  O33  1  0.531  0.638  0.219  1.0
  O  O34  1  0.761  0.638  0.870  1.0
  O  O35  1  0.786  0.184  0.892  1.0
  O  O36  1  0.757  0.040  0.623  1.0
  O  O37  1  0.747  0.444  0.364  1.0
  O  O38  1  0.745  0.949  0.370  1.0
  O  O39  1  0.726  0.400  0.101  1.0
  O  O40  1  0.724  0.888  0.047  1.0
  O  O41  1  0.960  0.886  0.838  1.0
  O  O42  1  0.966  0.780  0.540  1.0
  O  O43  1  0.953  0.635  0.234  1.0
[/CIF]
.