The material described by Li4Ni5Te(PO4)6 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(10), one O(14), one O(20), one O(24), and one O(8) atom. In the second Li site, Li(2) is bonded to one O(1), one O(11), one O(15), one O(17), and one O(5) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Li(3)O5 square pyramid,  a cornercorner with one Li(4)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Te(1)O6 pentagonal pyramid,  an edgeedge with one P(4)O4 tetrahedra, and  a faceface with one Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles are 81°. In the third Li site, Li(3) is bonded to one O(13), one O(15), one O(19), one O(2), and one O(21) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Li(2)O5 square pyramid,  a cornercorner with one Li(4)O5 square pyramid,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Te(1)O6 pentagonal pyramid,  an edgeedge with one P(6)O4 tetrahedra, and  a faceface with one Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles are 81°. In the fourth Li site, Li(4) is bonded to one O(16), one O(17), one O(18), one O(19), and one O(3) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Li(2)O5 square pyramid,  a cornercorner with one Li(3)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Te(1)O6 pentagonal pyramid,  an edgeedge with one P(5)O4 tetrahedra, and  a faceface with one Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles are 80°. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(11), one O(14), one O(18), one O(21), one O(4), and one O(7) atom to form distorted NiO6 octahedra that share  a cornercorner with one Li(2)O5 square pyramid,  a cornercorner with one Li(3)O5 square pyramid,  a cornercorner with one Li(4)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a faceface with one Ni(4)O6 octahedra, and  a faceface with one Te(1)O6 pentagonal pyramid. In the second Ni site, Ni(2) is bonded to one O(10), one O(22), one O(23), one O(24), one O(6), and one O(8) atom to form distorted NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Ni(3)O6 octahedra. In the third Ni site, Ni(3) is bonded to one O(10), one O(15), one O(17), one O(19), one O(6), and one O(8) atom to form distorted NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Li(2)O5 square pyramid,  an edgeedge with one Li(3)O5 square pyramid,  an edgeedge with one Li(4)O5 square pyramid,  a faceface with one Ni(2)O6 octahedra, and  a faceface with one Ni(5)O6 octahedra. In the fourth Ni site, Ni(4) is bonded to one O(12), one O(14), one O(20), one O(4), one O(7), and one O(9) atom to form distorted NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Ni(1)O6 octahedra. In the fifth Ni site, Ni(5) is bonded to one O(1), one O(15), one O(17), one O(19), one O(2), and one O(3) atom to form distorted NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a faceface with one Ni(3)O6 octahedra,  a faceface with one Li(2)O5 square pyramid,  a faceface with one Li(3)O5 square pyramid, and  a faceface with one Li(4)O5 square pyramid. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Te(1)O6 pentagonal pyramid,  a cornercorner with one Li(2)O5 square pyramid, and  a cornercorner with one Li(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 26-50°. In the second P site, P(2) is bonded to one O(1), one O(13), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Te(1)O6 pentagonal pyramid,  a cornercorner with one Li(2)O5 square pyramid, and  a cornercorner with one Li(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 26-51°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(16), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Te(1)O6 pentagonal pyramid,  a cornercorner with one Li(3)O5 square pyramid, and  a cornercorner with one Li(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 26-53°. In the fourth P site, P(4) is bonded to one O(11), one O(15), one O(23), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Te(1)O6 pentagonal pyramid,  a cornercorner with one Li(3)O5 square pyramid, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 35-49°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Te(1)O6 pentagonal pyramid,  a cornercorner with one Li(2)O5 square pyramid, and  an edgeedge with one Li(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 22-50°. In the sixth P site, P(6) is bonded to one O(19), one O(20), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Te(1)O6 pentagonal pyramid,  a cornercorner with one Li(4)O5 square pyramid, and  an edgeedge with one Li(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 21-48°. Te(1) is bonded to one O(11), one O(13), one O(16), one O(18), one O(21), and one O(5) atom to form distorted TeO6 pentagonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Li(2)O5 square pyramid,  an edgeedge with one Li(3)O5 square pyramid,  an edgeedge with one Li(4)O5 square pyramid, and  a faceface with one Ni(1)O6 octahedra. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Ni(5), and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(3), one Ni(5), and one P(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(4), one Ni(5), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ni(1), one Ni(4), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one P(1), and one Te(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ni(2), one Ni(3), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ni(1), one Ni(4), and one P(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Ni(2), one Ni(3), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Ni(4) and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ni(2), one Ni(3), and one P(3) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Ni(1), one P(4), and one Te(1) atom to form distorted OLiNiTeP trigonal pyramids that share  a cornercorner with one O(17)Li2Ni2P square pyramid,  a cornercorner with one O(14)LiNi2P trigonal pyramid,  an edgeedge with one O(15)Li2Ni2P square pyramid,  an edgeedge with one O(18)LiNiTeP trigonal pyramid, and  an edgeedge with one O(21)LiNiTeP trigonal pyramid. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Ni(4) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(3), one P(2), and one Te(1) atom. In the fourteenth O site, O(14) is bonded to one Li(1), one Ni(1), one Ni(4), and one P(3) atom to form distorted corner-sharing OLiNi2P trigonal pyramids. In the fifteenth O site, O(15) is bonded to one Li(2), one Li(3), one Ni(3), one Ni(5), and one P(4) atom to form distorted OLi2Ni2P square pyramids that share  a cornercorner with one O(21)LiNiTeP trigonal pyramid,  an edgeedge with one O(11)LiNiTeP trigonal pyramid,  a faceface with one O(17)Li2Ni2P square pyramid, and  a faceface with one O(19)Li2Ni2P square pyramid. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(4), one P(3), and one Te(1) atom. In the seventeenth O site, O(17) is bonded to one Li(2), one Li(4), one Ni(3), one Ni(5), and one P(5) atom to form distorted OLi2Ni2P square pyramids that share  a cornercorner with one O(11)LiNiTeP trigonal pyramid,  an edgeedge with one O(18)LiNiTeP trigonal pyramid,  a faceface with one O(15)Li2Ni2P square pyramid, and  a faceface with one O(19)Li2Ni2P square pyramid. In the eighteenth O site, O(18) is bonded to one Li(4), one Ni(1), one P(5), and one Te(1) atom to form distorted OLiNiTeP trigonal pyramids that share  a cornercorner with one O(19)Li2Ni2P square pyramid,  a cornercorner with one O(14)LiNi2P trigonal pyramid,  an edgeedge with one O(17)Li2Ni2P square pyramid,  an edgeedge with one O(11)LiNiTeP trigonal pyramid, and  an edgeedge with one O(21)LiNiTeP trigonal pyramid. In the nineteenth O site, O(19) is bonded to one Li(3), one Li(4), one Ni(3), one Ni(5), and one P(6) atom to form distorted OLi2Ni2P square pyramids that share  a cornercorner with one O(18)LiNiTeP trigonal pyramid,  an edgeedge with one O(21)LiNiTeP trigonal pyramid,  a faceface with one O(15)Li2Ni2P square pyramid, and  a faceface with one O(17)Li2Ni2P square pyramid. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Li(1), one Ni(4), and one P(6) atom. In the twenty-first O site, O(21) is bonded to one Li(3), one Ni(1), one P(6), and one Te(1) atom to form distorted OLiNiTeP trigonal pyramids that share  a cornercorner with one O(15)Li2Ni2P square pyramid,  a cornercorner with one O(14)LiNi2P trigonal pyramid,  an edgeedge with one O(19)Li2Ni2P square pyramid,  an edgeedge with one O(11)LiNiTeP trigonal pyramid, and  an edgeedge with one O(18)LiNiTeP trigonal pyramid. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Ni(2) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Ni(2) and one P(4) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(1), one Ni(2), and one P(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Ni5Te(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.304
_cell_length_b   8.397
_cell_length_c   8.399
_cell_angle_alpha   64.267
_cell_angle_beta   64.619
_cell_angle_gamma   64.709
_symmetry_Int_Tables_number   1
_cell_volume   455.249
_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  0.258  0.643  0.856  1.0
  Li  Li1  1  0.705  0.363  0.159  1.0
  Li  Li2  1  0.369  0.156  0.704  1.0
  Li  Li3  1  0.155  0.699  0.368  1.0
  Ni  Ni4  1  0.991  0.999  0.999  1.0
  Ni  Ni5  1  0.646  0.650  0.647  1.0
  Ni  Ni6  1  0.511  0.502  0.501  1.0
  Ni  Ni7  1  0.859  0.856  0.854  1.0
  Ni  Ni8  1  0.351  0.349  0.347  1.0
  Te  Te9  1  0.153  0.155  0.158  1.0
  P  P10  1  0.927  0.568  0.254  1.0
  P  P11  1  0.570  0.248  0.931  1.0
  P  P12  1  0.251  0.935  0.565  1.0
  P  P13  1  0.749  0.052  0.457  1.0
  P  P14  1  0.448  0.748  0.051  1.0
  P  P15  1  0.062  0.457  0.752  1.0
  O  O16  1  0.518  0.307  0.101  1.0
  O  O17  1  0.309  0.104  0.514  1.0
  O  O18  1  0.100  0.514  0.313  1.0
  O  O19  1  0.929  0.755  0.097  1.0
  O  O20  1  0.934  0.419  0.183  1.0
  O  O21  1  0.743  0.581  0.411  1.0
  O  O22  1  0.763  0.102  0.917  1.0
  O  O23  1  0.566  0.415  0.752  1.0
  O  O24  1  0.827  0.018  0.604  1.0
  O  O25  1  0.403  0.744  0.583  1.0
  O  O26  1  0.902  0.083  0.246  1.0
  O  O27  1  0.610  0.814  0.998  1.0
  O  O28  1  0.421  0.172  0.944  1.0
  O  O29  1  0.108  0.917  0.762  1.0
  O  O30  1  0.595  0.247  0.434  1.0
  O  O31  1  0.179  0.943  0.417  1.0
  O  O32  1  0.434  0.593  0.245  1.0
  O  O33  1  0.240  0.904  0.090  1.0
  O  O34  1  0.252  0.429  0.593  1.0
  O  O35  1  0.057  0.596  0.825  1.0
  O  O36  1  0.082  0.248  0.905  1.0
  O  O37  1  0.893  0.505  0.697  1.0
  O  O38  1  0.682  0.900  0.483  1.0
  O  O39  1  0.447  0.689  0.904  1.0
[/CIF]
.
The material described by Li4Ni5Te(PO4)6 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(10), one O(14), one O(20), one O(24), and one O(8) atom. In the second Li site, Li(2) is bonded to one O(1), one O(11), one O(15), one O(17), and one O(5) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Li(3)O5 square pyramid,  a cornercorner with one Li(4)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Te(1)O6 pentagonal pyramid,  an edgeedge with one P(4)O4 tetrahedra, and  a faceface with one Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles are 81°. In the third Li site, Li(3) is bonded to one O(13), one O(15), one O(19), one O(2), and one O(21) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Li(2)O5 square pyramid,  a cornercorner with one Li(4)O5 square pyramid,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Te(1)O6 pentagonal pyramid,  an edgeedge with one P(6)O4 tetrahedra, and  a faceface with one Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles are 81°. In the fourth Li site, Li(4) is bonded to one O(16), one O(17), one O(18), one O(19), and one O(3) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Li(2)O5 square pyramid,  a cornercorner with one Li(3)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Te(1)O6 pentagonal pyramid,  an edgeedge with one P(5)O4 tetrahedra, and  a faceface with one Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles are 80°. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(11), one O(14), one O(18), one O(21), one O(4), and one O(7) atom to form distorted NiO6 octahedra that share  a cornercorner with one Li(2)O5 square pyramid,  a cornercorner with one Li(3)O5 square pyramid,  a cornercorner with one Li(4)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a faceface with one Ni(4)O6 octahedra, and  a faceface with one Te(1)O6 pentagonal pyramid. In the second Ni site, Ni(2) is bonded to one O(10), one O(22), one O(23), one O(24), one O(6), and one O(8) atom to form distorted NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Ni(3)O6 octahedra. In the third Ni site, Ni(3) is bonded to one O(10), one O(15), one O(17), one O(19), one O(6), and one O(8) atom to form distorted NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Li(2)O5 square pyramid,  an edgeedge with one Li(3)O5 square pyramid,  an edgeedge with one Li(4)O5 square pyramid,  a faceface with one Ni(2)O6 octahedra, and  a faceface with one Ni(5)O6 octahedra. In the fourth Ni site, Ni(4) is bonded to one O(12), one O(14), one O(20), one O(4), one O(7), and one O(9) atom to form distorted NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Ni(1)O6 octahedra. In the fifth Ni site, Ni(5) is bonded to one O(1), one O(15), one O(17), one O(19), one O(2), and one O(3) atom to form distorted NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a faceface with one Ni(3)O6 octahedra,  a faceface with one Li(2)O5 square pyramid,  a faceface with one Li(3)O5 square pyramid, and  a faceface with one Li(4)O5 square pyramid. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Te(1)O6 pentagonal pyramid,  a cornercorner with one Li(2)O5 square pyramid, and  a cornercorner with one Li(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 26-50°. In the second P site, P(2) is bonded to one O(1), one O(13), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Te(1)O6 pentagonal pyramid,  a cornercorner with one Li(2)O5 square pyramid, and  a cornercorner with one Li(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 26-51°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(16), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Te(1)O6 pentagonal pyramid,  a cornercorner with one Li(3)O5 square pyramid, and  a cornercorner with one Li(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 26-53°. In the fourth P site, P(4) is bonded to one O(11), one O(15), one O(23), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Te(1)O6 pentagonal pyramid,  a cornercorner with one Li(3)O5 square pyramid, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 35-49°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Te(1)O6 pentagonal pyramid,  a cornercorner with one Li(2)O5 square pyramid, and  an edgeedge with one Li(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 22-50°. In the sixth P site, P(6) is bonded to one O(19), one O(20), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Te(1)O6 pentagonal pyramid,  a cornercorner with one Li(4)O5 square pyramid, and  an edgeedge with one Li(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 21-48°. Te(1) is bonded to one O(11), one O(13), one O(16), one O(18), one O(21), and one O(5) atom to form distorted TeO6 pentagonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Li(2)O5 square pyramid,  an edgeedge with one Li(3)O5 square pyramid,  an edgeedge with one Li(4)O5 square pyramid, and  a faceface with one Ni(1)O6 octahedra. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Ni(5), and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(3), one Ni(5), and one P(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(4), one Ni(5), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ni(1), one Ni(4), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one P(1), and one Te(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ni(2), one Ni(3), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ni(1), one Ni(4), and one P(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Ni(2), one Ni(3), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Ni(4) and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ni(2), one Ni(3), and one P(3) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Ni(1), one P(4), and one Te(1) atom to form distorted OLiNiTeP trigonal pyramids that share  a cornercorner with one O(17)Li2Ni2P square pyramid,  a cornercorner with one O(14)LiNi2P trigonal pyramid,  an edgeedge with one O(15)Li2Ni2P square pyramid,  an edgeedge with one O(18)LiNiTeP trigonal pyramid, and  an edgeedge with one O(21)LiNiTeP trigonal pyramid. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Ni(4) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(3), one P(2), and one Te(1) atom. In the fourteenth O site, O(14) is bonded to one Li(1), one Ni(1), one Ni(4), and one P(3) atom to form distorted corner-sharing OLiNi2P trigonal pyramids. In the fifteenth O site, O(15) is bonded to one Li(2), one Li(3), one Ni(3), one Ni(5), and one P(4) atom to form distorted OLi2Ni2P square pyramids that share  a cornercorner with one O(21)LiNiTeP trigonal pyramid,  an edgeedge with one O(11)LiNiTeP trigonal pyramid,  a faceface with one O(17)Li2Ni2P square pyramid, and  a faceface with one O(19)Li2Ni2P square pyramid. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(4), one P(3), and one Te(1) atom. In the seventeenth O site, O(17) is bonded to one Li(2), one Li(4), one Ni(3), one Ni(5), and one P(5) atom to form distorted OLi2Ni2P square pyramids that share  a cornercorner with one O(11)LiNiTeP trigonal pyramid,  an edgeedge with one O(18)LiNiTeP trigonal pyramid,  a faceface with one O(15)Li2Ni2P square pyramid, and  a faceface with one O(19)Li2Ni2P square pyramid. In the eighteenth O site, O(18) is bonded to one Li(4), one Ni(1), one P(5), and one Te(1) atom to form distorted OLiNiTeP trigonal pyramids that share  a cornercorner with one O(19)Li2Ni2P square pyramid,  a cornercorner with one O(14)LiNi2P trigonal pyramid,  an edgeedge with one O(17)Li2Ni2P square pyramid,  an edgeedge with one O(11)LiNiTeP trigonal pyramid, and  an edgeedge with one O(21)LiNiTeP trigonal pyramid. In the nineteenth O site, O(19) is bonded to one Li(3), one Li(4), one Ni(3), one Ni(5), and one P(6) atom to form distorted OLi2Ni2P square pyramids that share  a cornercorner with one O(18)LiNiTeP trigonal pyramid,  an edgeedge with one O(21)LiNiTeP trigonal pyramid,  a faceface with one O(15)Li2Ni2P square pyramid, and  a faceface with one O(17)Li2Ni2P square pyramid. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Li(1), one Ni(4), and one P(6) atom. In the twenty-first O site, O(21) is bonded to one Li(3), one Ni(1), one P(6), and one Te(1) atom to form distorted OLiNiTeP trigonal pyramids that share  a cornercorner with one O(15)Li2Ni2P square pyramid,  a cornercorner with one O(14)LiNi2P trigonal pyramid,  an edgeedge with one O(19)Li2Ni2P square pyramid,  an edgeedge with one O(11)LiNiTeP trigonal pyramid, and  an edgeedge with one O(18)LiNiTeP trigonal pyramid. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Ni(2) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Ni(2) and one P(4) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(1), one Ni(2), and one P(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Ni5Te(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.304
_cell_length_b   8.397
_cell_length_c   8.399
_cell_angle_alpha   64.267
_cell_angle_beta   64.619
_cell_angle_gamma   64.709
_symmetry_Int_Tables_number   1
_cell_volume   455.249
_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  0.258  0.643  0.856  1.0
  Li  Li1  1  0.705  0.363  0.159  1.0
  Li  Li2  1  0.369  0.156  0.704  1.0
  Li  Li3  1  0.155  0.699  0.368  1.0
  Ni  Ni4  1  0.991  0.999  0.999  1.0
  Ni  Ni5  1  0.646  0.650  0.647  1.0
  Ni  Ni6  1  0.511  0.502  0.501  1.0
  Ni  Ni7  1  0.859  0.856  0.854  1.0
  Ni  Ni8  1  0.351  0.349  0.347  1.0
  Te  Te9  1  0.153  0.155  0.158  1.0
  P  P10  1  0.927  0.568  0.254  1.0
  P  P11  1  0.570  0.248  0.931  1.0
  P  P12  1  0.251  0.935  0.565  1.0
  P  P13  1  0.749  0.052  0.457  1.0
  P  P14  1  0.448  0.748  0.051  1.0
  P  P15  1  0.062  0.457  0.752  1.0
  O  O16  1  0.518  0.307  0.101  1.0
  O  O17  1  0.309  0.104  0.514  1.0
  O  O18  1  0.100  0.514  0.313  1.0
  O  O19  1  0.929  0.755  0.097  1.0
  O  O20  1  0.934  0.419  0.183  1.0
  O  O21  1  0.743  0.581  0.411  1.0
  O  O22  1  0.763  0.102  0.917  1.0
  O  O23  1  0.566  0.415  0.752  1.0
  O  O24  1  0.827  0.018  0.604  1.0
  O  O25  1  0.403  0.744  0.583  1.0
  O  O26  1  0.902  0.083  0.246  1.0
  O  O27  1  0.610  0.814  0.998  1.0
  O  O28  1  0.421  0.172  0.944  1.0
  O  O29  1  0.108  0.917  0.762  1.0
  O  O30  1  0.595  0.247  0.434  1.0
  O  O31  1  0.179  0.943  0.417  1.0
  O  O32  1  0.434  0.593  0.245  1.0
  O  O33  1  0.240  0.904  0.090  1.0
  O  O34  1  0.252  0.429  0.593  1.0
  O  O35  1  0.057  0.596  0.825  1.0
  O  O36  1  0.082  0.248  0.905  1.0
  O  O37  1  0.893  0.505  0.697  1.0
  O  O38  1  0.682  0.900  0.483  1.0
  O  O39  1  0.447  0.689  0.904  1.0
[/CIF]
.