The compound described by Li5Ni6(P2O7)4 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(3), one O(8), and two equivalent O(2) atoms to form LiO5 trigonal bipyramids that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Li(1)O5 trigonal bipyramid, and edges with two equivalent Ni(2)O5 trigonal bipyramids. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(3), and two equivalent O(5) atoms. In the third Li site, Li(3) is bonded to two equivalent O(14), two equivalent O(6), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, corners with two equivalent Ni(2)O5 trigonal bipyramids, and edges with two equivalent P(3)O4 tetrahedra. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted square co-planar geometry to two equivalent O(6) and two equivalent O(7) atoms. In the second Ni site, Ni(2) is bonded to one O(10), one O(13), one O(2), one O(7), and one O(8) atom to form NiO5 trigonal bipyramids that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 65-74°. In the third Ni site, Ni(3) is bonded to one O(1), one O(12), one O(13), one O(9), and two equivalent O(11) atoms to form NiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  a cornercorner with one Ni(2)O5 trigonal bipyramid,  an edgeedge with one Ni(3)O6 octahedra, and  an edgeedge with one Ni(4)O6 octahedra. In the fourth Ni site, Ni(4) is bonded to two equivalent O(12), two equivalent O(5), and two equivalent O(9) atoms to form NiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and edges with two equivalent Ni(3)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(11), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(4)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-59°. In the second P site, P(2) is bonded to one O(13), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and corners with two equivalent Ni(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-64°. In the third P site, P(3) is bonded to one O(14), one O(3), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Ni(2)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-63°. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(14), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and corners with two equivalent Ni(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 55-56°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(2), one Ni(3), and one P(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Ni(2), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one P(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Ni(4), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(3), one Ni(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Ni(1), one Ni(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(2), and one P(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ni(3), one Ni(4), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(2), and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to two equivalent Ni(3) and one P(1) atom. In the twelfth O site, O(12) is bonded to one Li(2), one Ni(3), one Ni(4), and one P(4) atom to form distorted corner-sharing OLiNi2P trigonal pyramids. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Ni(2), one Ni(3), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(3), one P(3), and one P(4) atom. is represented by the CIF file [CIF]
data_Li5Ni6(P2O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.335
_cell_length_b   8.403
_cell_length_c   10.058
_cell_angle_alpha   107.807
_cell_angle_beta   90.456
_cell_angle_gamma   92.734
_symmetry_Int_Tables_number   1
_cell_volume   509.080
_cell_formula_units_Z   1
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  0.019  0.165  0.609  1.0
  Li  Li1  1  0.095  0.608  0.123  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.905  0.392  0.877  1.0
  Li  Li4  1  0.981  0.835  0.391  1.0
  Ni  Ni5  1  0.000  0.500  0.500  1.0
  Ni  Ni6  1  0.307  0.888  0.641  1.0
  Ni  Ni7  1  0.356  0.883  0.061  1.0
  Ni  Ni8  1  0.500  0.500  0.000  1.0
  Ni  Ni9  1  0.644  0.117  0.939  1.0
  Ni  Ni10  1  0.693  0.112  0.359  1.0
  P  P11  1  0.152  0.206  0.016  1.0
  P  P12  1  0.188  0.178  0.310  1.0
  P  P13  1  0.265  0.541  0.741  1.0
  P  P14  1  0.476  0.756  0.320  1.0
  P  P15  1  0.524  0.244  0.680  1.0
  P  P16  1  0.735  0.459  0.259  1.0
  P  P17  1  0.812  0.822  0.690  1.0
  P  P18  1  0.848  0.794  0.984  1.0
  O  O19  1  0.045  0.839  0.078  1.0
  O  O20  1  0.017  0.084  0.369  1.0
  O  O21  1  0.073  0.423  0.731  1.0
  O  O22  1  0.079  0.200  0.168  1.0
  O  O23  1  0.223  0.386  0.026  1.0
  O  O24  1  0.245  0.351  0.408  1.0
  O  O25  1  0.258  0.651  0.644  1.0
  O  O26  1  0.301  0.810  0.425  1.0
  O  O27  1  0.343  0.637  0.891  1.0
  O  O28  1  0.325  0.129  0.651  1.0
  O  O29  1  0.327  0.078  0.970  1.0
  O  O30  1  0.394  0.710  0.166  1.0
  O  O31  1  0.386  0.076  0.260  1.0
  O  O32  1  0.459  0.423  0.669  1.0
  O  O33  1  0.541  0.577  0.331  1.0
  O  O34  1  0.614  0.924  0.740  1.0
  O  O35  1  0.606  0.290  0.834  1.0
  O  O36  1  0.673  0.922  0.030  1.0
  O  O37  1  0.675  0.871  0.349  1.0
  O  O38  1  0.657  0.363  0.109  1.0
  O  O39  1  0.699  0.190  0.575  1.0
  O  O40  1  0.742  0.349  0.356  1.0
  O  O41  1  0.755  0.649  0.592  1.0
  O  O42  1  0.777  0.614  0.974  1.0
  O  O43  1  0.921  0.800  0.832  1.0
  O  O44  1  0.927  0.577  0.269  1.0
  O  O45  1  0.983  0.916  0.631  1.0
  O  O46  1  0.955  0.161  0.922  1.0
[/CIF]
.
The compound described by Li5Ni6(P2O7)4 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(3), one O(8), and two equivalent O(2) atoms to form LiO5 trigonal bipyramids that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Li(1)O5 trigonal bipyramid, and edges with two equivalent Ni(2)O5 trigonal bipyramids. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(3), and two equivalent O(5) atoms. In the third Li site, Li(3) is bonded to two equivalent O(14), two equivalent O(6), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, corners with two equivalent Ni(2)O5 trigonal bipyramids, and edges with two equivalent P(3)O4 tetrahedra. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted square co-planar geometry to two equivalent O(6) and two equivalent O(7) atoms. In the second Ni site, Ni(2) is bonded to one O(10), one O(13), one O(2), one O(7), and one O(8) atom to form NiO5 trigonal bipyramids that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 65-74°. In the third Ni site, Ni(3) is bonded to one O(1), one O(12), one O(13), one O(9), and two equivalent O(11) atoms to form NiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  a cornercorner with one Ni(2)O5 trigonal bipyramid,  an edgeedge with one Ni(3)O6 octahedra, and  an edgeedge with one Ni(4)O6 octahedra. In the fourth Ni site, Ni(4) is bonded to two equivalent O(12), two equivalent O(5), and two equivalent O(9) atoms to form NiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and edges with two equivalent Ni(3)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(11), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(4)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-59°. In the second P site, P(2) is bonded to one O(13), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and corners with two equivalent Ni(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-64°. In the third P site, P(3) is bonded to one O(14), one O(3), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Ni(2)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-63°. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(14), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and corners with two equivalent Ni(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 55-56°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(2), one Ni(3), and one P(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Ni(2), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one P(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Ni(4), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(3), one Ni(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Ni(1), one Ni(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(2), and one P(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ni(3), one Ni(4), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(2), and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to two equivalent Ni(3) and one P(1) atom. In the twelfth O site, O(12) is bonded to one Li(2), one Ni(3), one Ni(4), and one P(4) atom to form distorted corner-sharing OLiNi2P trigonal pyramids. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Ni(2), one Ni(3), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(3), one P(3), and one P(4) atom. is represented by the CIF file [CIF]
data_Li5Ni6(P2O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.335
_cell_length_b   8.403
_cell_length_c   10.058
_cell_angle_alpha   107.807
_cell_angle_beta   90.456
_cell_angle_gamma   92.734
_symmetry_Int_Tables_number   1
_cell_volume   509.080
_cell_formula_units_Z   1
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  0.019  0.165  0.609  1.0
  Li  Li1  1  0.095  0.608  0.123  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.905  0.392  0.877  1.0
  Li  Li4  1  0.981  0.835  0.391  1.0
  Ni  Ni5  1  0.000  0.500  0.500  1.0
  Ni  Ni6  1  0.307  0.888  0.641  1.0
  Ni  Ni7  1  0.356  0.883  0.061  1.0
  Ni  Ni8  1  0.500  0.500  0.000  1.0
  Ni  Ni9  1  0.644  0.117  0.939  1.0
  Ni  Ni10  1  0.693  0.112  0.359  1.0
  P  P11  1  0.152  0.206  0.016  1.0
  P  P12  1  0.188  0.178  0.310  1.0
  P  P13  1  0.265  0.541  0.741  1.0
  P  P14  1  0.476  0.756  0.320  1.0
  P  P15  1  0.524  0.244  0.680  1.0
  P  P16  1  0.735  0.459  0.259  1.0
  P  P17  1  0.812  0.822  0.690  1.0
  P  P18  1  0.848  0.794  0.984  1.0
  O  O19  1  0.045  0.839  0.078  1.0
  O  O20  1  0.017  0.084  0.369  1.0
  O  O21  1  0.073  0.423  0.731  1.0
  O  O22  1  0.079  0.200  0.168  1.0
  O  O23  1  0.223  0.386  0.026  1.0
  O  O24  1  0.245  0.351  0.408  1.0
  O  O25  1  0.258  0.651  0.644  1.0
  O  O26  1  0.301  0.810  0.425  1.0
  O  O27  1  0.343  0.637  0.891  1.0
  O  O28  1  0.325  0.129  0.651  1.0
  O  O29  1  0.327  0.078  0.970  1.0
  O  O30  1  0.394  0.710  0.166  1.0
  O  O31  1  0.386  0.076  0.260  1.0
  O  O32  1  0.459  0.423  0.669  1.0
  O  O33  1  0.541  0.577  0.331  1.0
  O  O34  1  0.614  0.924  0.740  1.0
  O  O35  1  0.606  0.290  0.834  1.0
  O  O36  1  0.673  0.922  0.030  1.0
  O  O37  1  0.675  0.871  0.349  1.0
  O  O38  1  0.657  0.363  0.109  1.0
  O  O39  1  0.699  0.190  0.575  1.0
  O  O40  1  0.742  0.349  0.356  1.0
  O  O41  1  0.755  0.649  0.592  1.0
  O  O42  1  0.777  0.614  0.974  1.0
  O  O43  1  0.921  0.800  0.832  1.0
  O  O44  1  0.927  0.577  0.269  1.0
  O  O45  1  0.983  0.916  0.631  1.0
  O  O46  1  0.955  0.161  0.922  1.0
[/CIF]
.