Li7Fe4NiO12 is Caswellsilverite-derived structured and crystallizes in the triclinic P1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(11), one O(2), one O(3), one O(5), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra,  a faceface with one Li(6)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(12), one O(2), one O(4), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra,  a faceface with one Li(7)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-53°. In the third Li site, Li(3) is bonded to one O(1), one O(11), one O(3), one O(4), one O(5), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with four equivalent Li(6)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra,  a faceface with one Fe(4)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. In the fourth Li site, Li(4) is bonded to one O(12), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Li(7)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra,  a faceface with one Li(5)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-54°. In the fifth Li site, Li(5) is bonded to one O(10), one O(12), one O(4), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Li(6)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra,  a faceface with one Li(4)O6 octahedra, and  a faceface with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-54°. In the sixth Li site, Li(6) is bonded to one O(1), one O(10), one O(11), one O(5), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Li(7)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra,  a faceface with one Li(1)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. In the seventh Li site, Li(7) is bonded to one O(10), one O(12), one O(2), one O(6), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Li(6)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra,  a faceface with one Li(2)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-54°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(12), one O(2), one O(3), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(6)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with four equivalent Fe(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(7)O6 octahedra,  a faceface with one Li(4)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Fe(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra,  a faceface with one Li(2)O6 octahedra, and  a faceface with one Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. In the third Fe site, Fe(3) is bonded to one O(2), one O(3), one O(5), one O(6), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra,  a faceface with one Li(1)O6 octahedra, and  a faceface with one Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-54°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(10), one O(11), one O(12), one O(4), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(7)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra,  a faceface with one Li(3)O6 octahedra, and  a faceface with one Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. Ni(1) is bonded to one O(11), one O(3), one O(5), one O(7), one O(8), and one O(9) atom to form distorted NiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Li(7)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra,  a faceface with one Li(3)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-51°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(6), one Fe(2), and one Fe(4) atom to form distorted OLi4Fe2 pentagonal pyramids that share corners with two equivalent O(5)Li3Fe2Ni pentagonal pyramids, corners with two equivalent O(10)Li4Fe2 pentagonal pyramids, corners with two equivalent O(2)Li4Fe2 pentagonal pyramids,  an edgeedge with one O(3)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(5)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(9)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(10)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(12)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(6)Li4Fe2 pentagonal pyramid, edges with two equivalent O(11)Li3Fe2Ni pentagonal pyramids, edges with two equivalent O(7)Li3Fe2Ni pentagonal pyramids, and edges with two equivalent O(4)Li4Fe2 pentagonal pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(4), one Li(7), one Fe(1), and one Fe(3) atom to form distorted OLi4Fe2 pentagonal pyramids that share corners with two equivalent O(9)Li3Fe2Ni pentagonal pyramids, corners with two equivalent O(1)Li4Fe2 pentagonal pyramids, corners with two equivalent O(6)Li4Fe2 pentagonal pyramids,  an edgeedge with one O(11)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(5)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(9)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(10)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(4)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(6)Li4Fe2 pentagonal pyramid, edges with two equivalent O(3)Li3Fe2Ni pentagonal pyramids, edges with two equivalent O(8)Li3Fe2Ni pentagonal pyramids, and edges with two equivalent O(12)Li4Fe2 pentagonal pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Li(4), one Fe(1), one Fe(3), and one Ni(1) atom to form distorted OLi3Fe2Ni pentagonal pyramids that share corners with two equivalent O(11)Li3Fe2Ni pentagonal pyramids, corners with two equivalent O(8)Li3Fe2Ni pentagonal pyramids, corners with two equivalent O(4)Li4Fe2 pentagonal pyramids,  an edgeedge with one O(11)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(7)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(8)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(1)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(12)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(6)Li4Fe2 pentagonal pyramid, edges with two equivalent O(5)Li3Fe2Ni pentagonal pyramids, edges with two equivalent O(9)Li3Fe2Ni pentagonal pyramids, and edges with two equivalent O(2)Li4Fe2 pentagonal pyramids. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Li(4), one Li(5), one Fe(2), and one Fe(4) atom to form distorted OLi4Fe2 pentagonal pyramids that share corners with two equivalent O(3)Li3Fe2Ni pentagonal pyramids, corners with two equivalent O(7)Li3Fe2Ni pentagonal pyramids, corners with two equivalent O(12)Li4Fe2 pentagonal pyramids,  an edgeedge with one O(11)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(5)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(7)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(8)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(12)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(2)Li4Fe2 pentagonal pyramid, edges with two equivalent O(1)Li4Fe2 pentagonal pyramids, edges with two equivalent O(10)Li4Fe2 pentagonal pyramids, and edges with two equivalent O(6)Li4Fe2 pentagonal pyramids. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Li(6), one Fe(2), one Fe(3), and one Ni(1) atom to form distorted OLi3Fe2Ni pentagonal pyramids that share corners with two equivalent O(9)Li3Fe2Ni pentagonal pyramids, corners with two equivalent O(1)Li4Fe2 pentagonal pyramids, corners with two equivalent O(6)Li4Fe2 pentagonal pyramids,  an edgeedge with one O(8)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(9)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(1)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(10)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(2)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(4)Li4Fe2 pentagonal pyramid, edges with two equivalent O(11)Li3Fe2Ni pentagonal pyramids, edges with two equivalent O(3)Li3Fe2Ni pentagonal pyramids, and edges with two equivalent O(7)Li3Fe2Ni pentagonal pyramids. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one Li(5), one Li(7), one Fe(2), and one Fe(3) atom to form distorted OLi4Fe2 pentagonal pyramids that share corners with two equivalent O(5)Li3Fe2Ni pentagonal pyramids, corners with two equivalent O(10)Li4Fe2 pentagonal pyramids, corners with two equivalent O(2)Li4Fe2 pentagonal pyramids,  an edgeedge with one O(3)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(7)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(9)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(1)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(10)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(2)Li4Fe2 pentagonal pyramid, edges with two equivalent O(8)Li3Fe2Ni pentagonal pyramids, edges with two equivalent O(12)Li4Fe2 pentagonal pyramids, and edges with two equivalent O(4)Li4Fe2 pentagonal pyramids. In the seventh O site, O(7) is bonded to one Li(3), one Li(5), one Li(6), one Fe(2), one Fe(4), and one Ni(1) atom to form distorted OLi3Fe2Ni pentagonal pyramids that share corners with two equivalent O(11)Li3Fe2Ni pentagonal pyramids, corners with two equivalent O(8)Li3Fe2Ni pentagonal pyramids, corners with two equivalent O(4)Li4Fe2 pentagonal pyramids,  an edgeedge with one O(11)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(3)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(9)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(12)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(4)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(6)Li4Fe2 pentagonal pyramid, edges with two equivalent O(5)Li3Fe2Ni pentagonal pyramids, edges with two equivalent O(1)Li4Fe2 pentagonal pyramids, and edges with two equivalent O(10)Li4Fe2 pentagonal pyramids. In the eighth O site, O(8) is bonded to one Li(4), one Li(5), one Li(7), one Fe(1), one Fe(3), and one Ni(1) atom to form distorted OLi3Fe2Ni pentagonal pyramids that share corners with two equivalent O(3)Li3Fe2Ni pentagonal pyramids, corners with two equivalent O(7)Li3Fe2Ni pentagonal pyramids, corners with two equivalent O(12)Li4Fe2 pentagonal pyramids,  an edgeedge with one O(11)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(3)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(5)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(10)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(12)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(4)Li4Fe2 pentagonal pyramid, edges with two equivalent O(9)Li3Fe2Ni pentagonal pyramids, edges with two equivalent O(2)Li4Fe2 pentagonal pyramids, and edges with two equivalent O(6)Li4Fe2 pentagonal pyramids. In the ninth O site, O(9) is bonded to one Li(1), one Li(6), one Li(7), one Fe(1), one Fe(3), and one Ni(1) atom to form distorted OLi3Fe2Ni pentagonal pyramids that share corners with two equivalent O(5)Li3Fe2Ni pentagonal pyramids, corners with two equivalent O(10)Li4Fe2 pentagonal pyramids, corners with two equivalent O(2)Li4Fe2 pentagonal pyramids,  an edgeedge with one O(5)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(7)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(1)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(12)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(2)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(6)Li4Fe2 pentagonal pyramid, edges with two equivalent O(11)Li3Fe2Ni pentagonal pyramids, edges with two equivalent O(3)Li3Fe2Ni pentagonal pyramids, and edges with two equivalent O(8)Li3Fe2Ni pentagonal pyramids. In the tenth O site, O(10) is bonded to one Li(2), one Li(5), one Li(6), one Li(7), one Fe(2), and one Fe(4) atom to form distorted OLi4Fe2 pentagonal pyramids that share corners with two equivalent O(9)Li3Fe2Ni pentagonal pyramids, corners with two equivalent O(1)Li4Fe2 pentagonal pyramids, corners with two equivalent O(6)Li4Fe2 pentagonal pyramids,  an edgeedge with one O(11)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(5)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(8)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(1)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(2)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(6)Li4Fe2 pentagonal pyramid, edges with two equivalent O(7)Li3Fe2Ni pentagonal pyramids, edges with two equivalent O(12)Li4Fe2 pentagonal pyramids, and edges with two equivalent O(4)Li4Fe2 pentagonal pyramids. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Li(6), one Fe(1), one Fe(4), and one Ni(1) atom to form distorted OLi3Fe2Ni pentagonal pyramids that share corners with two equivalent O(3)Li3Fe2Ni pentagonal pyramids, corners with two equivalent O(7)Li3Fe2Ni pentagonal pyramids, corners with two equivalent O(12)Li4Fe2 pentagonal pyramids,  an edgeedge with one O(3)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(7)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(8)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(10)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(2)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(4)Li4Fe2 pentagonal pyramid, edges with two equivalent O(5)Li3Fe2Ni pentagonal pyramids, edges with two equivalent O(9)Li3Fe2Ni pentagonal pyramids, and edges with two equivalent O(1)Li4Fe2 pentagonal pyramids. In the twelfth O site, O(12) is bonded to one Li(2), one Li(4), one Li(5), one Li(7), one Fe(1), and one Fe(4) atom to form distorted OLi4Fe2 pentagonal pyramids that share corners with two equivalent O(11)Li3Fe2Ni pentagonal pyramids, corners with two equivalent O(8)Li3Fe2Ni pentagonal pyramids, corners with two equivalent O(4)Li4Fe2 pentagonal pyramids,  an edgeedge with one O(3)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(7)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(8)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(9)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(1)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(4)Li4Fe2 pentagonal pyramid, edges with two equivalent O(10)Li4Fe2 pentagonal pyramids, edges with two equivalent O(2)Li4Fe2 pentagonal pyramids, and edges with two equivalent O(6)Li4Fe2 pentagonal pyramids.
Li7Fe4NiO12 is Caswellsilverite-derived structured and crystallizes in the triclinic P1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(11), one O(2), one O(3), one O(5), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra,  a faceface with one Li(6)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. The Li(1)-O(1) bond length is 2.07 Å. The Li(1)-O(11) bond length is 2.13 Å. The Li(1)-O(2) bond length is 2.08 Å. The Li(1)-O(3) bond length is 2.15 Å. The Li(1)-O(5) bond length is 2.10 Å. The Li(1)-O(9) bond length is 2.11 Å. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(12), one O(2), one O(4), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra,  a faceface with one Li(7)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-53°. The Li(2)-O(1) bond length is 2.06 Å. The Li(2)-O(10) bond length is 2.10 Å. The Li(2)-O(12) bond length is 2.11 Å. The Li(2)-O(2) bond length is 2.11 Å. The Li(2)-O(4) bond length is 2.08 Å. The Li(2)-O(6) bond length is 2.08 Å. In the third Li site, Li(3) is bonded to one O(1), one O(11), one O(3), one O(4), one O(5), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with four equivalent Li(6)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra,  a faceface with one Fe(4)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. The Li(3)-O(1) bond length is 2.01 Å. The Li(3)-O(11) bond length is 2.08 Å. The Li(3)-O(3) bond length is 2.12 Å. The Li(3)-O(4) bond length is 2.03 Å. The Li(3)-O(5) bond length is 2.13 Å. The Li(3)-O(7) bond length is 2.12 Å. In the fourth Li site, Li(4) is bonded to one O(12), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Li(7)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra,  a faceface with one Li(5)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-54°. The Li(4)-O(12) bond length is 2.06 Å. The Li(4)-O(2) bond length is 2.13 Å. The Li(4)-O(3) bond length is 2.11 Å. The Li(4)-O(4) bond length is 2.05 Å. The Li(4)-O(6) bond length is 2.12 Å. The Li(4)-O(8) bond length is 2.09 Å. In the fifth Li site, Li(5) is bonded to one O(10), one O(12), one O(4), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Li(6)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra,  a faceface with one Li(4)O6 octahedra, and  a faceface with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-54°. The Li(5)-O(10) bond length is 2.05 Å. The Li(5)-O(12) bond length is 2.08 Å. The Li(5)-O(4) bond length is 2.10 Å. The Li(5)-O(6) bond length is 2.11 Å. The Li(5)-O(7) bond length is 2.12 Å. The Li(5)-O(8) bond length is 2.15 Å. In the sixth Li site, Li(6) is bonded to one O(1), one O(10), one O(11), one O(5), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Li(7)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra,  a faceface with one Li(1)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. The Li(6)-O(1) bond length is 2.09 Å. The Li(6)-O(10) bond length is 2.06 Å. The Li(6)-O(11) bond length is 2.08 Å. The Li(6)-O(5) bond length is 2.09 Å. The Li(6)-O(7) bond length is 2.06 Å. The Li(6)-O(9) bond length is 2.14 Å. In the seventh Li site, Li(7) is bonded to one O(10), one O(12), one O(2), one O(6), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Li(6)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra,  a faceface with one Li(2)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-54°. The Li(7)-O(10) bond length is 2.08 Å. The Li(7)-O(12) bond length is 2.09 Å. The Li(7)-O(2) bond length is 2.09 Å. The Li(7)-O(6) bond length is 2.05 Å. The Li(7)-O(8) bond length is 2.13 Å. The Li(7)-O(9) bond length is 2.11 Å. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(12), one O(2), one O(3), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(6)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with four equivalent Fe(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(7)O6 octahedra,  a faceface with one Li(4)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. The Fe(1)-O(11) bond length is 2.10 Å. The Fe(1)-O(12) bond length is 1.98 Å. The Fe(1)-O(2) bond length is 1.97 Å. The Fe(1)-O(3) bond length is 2.02 Å. The Fe(1)-O(8) bond length is 2.04 Å. The Fe(1)-O(9) bond length is 2.06 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Fe(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra,  a faceface with one Li(2)O6 octahedra, and  a faceface with one Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. The Fe(2)-O(1) bond length is 1.96 Å. The Fe(2)-O(10) bond length is 1.95 Å. The Fe(2)-O(4) bond length is 2.01 Å. The Fe(2)-O(5) bond length is 2.06 Å. The Fe(2)-O(6) bond length is 2.00 Å. The Fe(2)-O(7) bond length is 2.07 Å. In the third Fe site, Fe(3) is bonded to one O(2), one O(3), one O(5), one O(6), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra,  a faceface with one Li(1)O6 octahedra, and  a faceface with one Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-54°. The Fe(3)-O(2) bond length is 1.97 Å. The Fe(3)-O(3) bond length is 2.04 Å. The Fe(3)-O(5) bond length is 2.07 Å. The Fe(3)-O(6) bond length is 1.98 Å. The Fe(3)-O(8) bond length is 2.02 Å. The Fe(3)-O(9) bond length is 2.05 Å. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(10), one O(11), one O(12), one O(4), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(7)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra,  a faceface with one Li(3)O6 octahedra, and  a faceface with one Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. The Fe(4)-O(1) bond length is 2.07 Å. The Fe(4)-O(10) bond length is 2.07 Å. The Fe(4)-O(11) bond length is 2.04 Å. The Fe(4)-O(12) bond length is 1.96 Å. The Fe(4)-O(4) bond length is 1.96 Å. The Fe(4)-O(7) bond length is 2.03 Å. Ni(1) is bonded to one O(11), one O(3), one O(5), one O(7), one O(8), and one O(9) atom to form distorted NiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Li(7)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra,  a faceface with one Li(3)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-51°. The Ni(1)-O(11) bond length is 2.00 Å. The Ni(1)-O(3) bond length is 2.01 Å. The Ni(1)-O(5) bond length is 2.05 Å. The Ni(1)-O(7) bond length is 2.05 Å. The Ni(1)-O(8) bond length is 2.04 Å. The Ni(1)-O(9) bond length is 2.04 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(6), one Fe(2), and one Fe(4) atom to form distorted OLi4Fe2 pentagonal pyramids that share corners with two equivalent O(5)Li3Fe2Ni pentagonal pyramids, corners with two equivalent O(10)Li4Fe2 pentagonal pyramids, corners with two equivalent O(2)Li4Fe2 pentagonal pyramids,  an edgeedge with one O(3)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(5)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(9)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(10)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(12)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(6)Li4Fe2 pentagonal pyramid, edges with two equivalent O(11)Li3Fe2Ni pentagonal pyramids, edges with two equivalent O(7)Li3Fe2Ni pentagonal pyramids, and edges with two equivalent O(4)Li4Fe2 pentagonal pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(4), one Li(7), one Fe(1), and one Fe(3) atom to form distorted OLi4Fe2 pentagonal pyramids that share corners with two equivalent O(9)Li3Fe2Ni pentagonal pyramids, corners with two equivalent O(1)Li4Fe2 pentagonal pyramids, corners with two equivalent O(6)Li4Fe2 pentagonal pyramids,  an edgeedge with one O(11)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(5)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(9)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(10)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(4)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(6)Li4Fe2 pentagonal pyramid, edges with two equivalent O(3)Li3Fe2Ni pentagonal pyramids, edges with two equivalent O(8)Li3Fe2Ni pentagonal pyramids, and edges with two equivalent O(12)Li4Fe2 pentagonal pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Li(4), one Fe(1), one Fe(3), and one Ni(1) atom to form distorted OLi3Fe2Ni pentagonal pyramids that share corners with two equivalent O(11)Li3Fe2Ni pentagonal pyramids, corners with two equivalent O(8)Li3Fe2Ni pentagonal pyramids, corners with two equivalent O(4)Li4Fe2 pentagonal pyramids,  an edgeedge with one O(11)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(7)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(8)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(1)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(12)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(6)Li4Fe2 pentagonal pyramid, edges with two equivalent O(5)Li3Fe2Ni pentagonal pyramids, edges with two equivalent O(9)Li3Fe2Ni pentagonal pyramids, and edges with two equivalent O(2)Li4Fe2 pentagonal pyramids. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Li(4), one Li(5), one Fe(2), and one Fe(4) atom to form distorted OLi4Fe2 pentagonal pyramids that share corners with two equivalent O(3)Li3Fe2Ni pentagonal pyramids, corners with two equivalent O(7)Li3Fe2Ni pentagonal pyramids, corners with two equivalent O(12)Li4Fe2 pentagonal pyramids,  an edgeedge with one O(11)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(5)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(7)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(8)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(12)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(2)Li4Fe2 pentagonal pyramid, edges with two equivalent O(1)Li4Fe2 pentagonal pyramids, edges with two equivalent O(10)Li4Fe2 pentagonal pyramids, and edges with two equivalent O(6)Li4Fe2 pentagonal pyramids. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Li(6), one Fe(2), one Fe(3), and one Ni(1) atom to form distorted OLi3Fe2Ni pentagonal pyramids that share corners with two equivalent O(9)Li3Fe2Ni pentagonal pyramids, corners with two equivalent O(1)Li4Fe2 pentagonal pyramids, corners with two equivalent O(6)Li4Fe2 pentagonal pyramids,  an edgeedge with one O(8)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(9)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(1)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(10)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(2)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(4)Li4Fe2 pentagonal pyramid, edges with two equivalent O(11)Li3Fe2Ni pentagonal pyramids, edges with two equivalent O(3)Li3Fe2Ni pentagonal pyramids, and edges with two equivalent O(7)Li3Fe2Ni pentagonal pyramids. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one Li(5), one Li(7), one Fe(2), and one Fe(3) atom to form distorted OLi4Fe2 pentagonal pyramids that share corners with two equivalent O(5)Li3Fe2Ni pentagonal pyramids, corners with two equivalent O(10)Li4Fe2 pentagonal pyramids, corners with two equivalent O(2)Li4Fe2 pentagonal pyramids,  an edgeedge with one O(3)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(7)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(9)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(1)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(10)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(2)Li4Fe2 pentagonal pyramid, edges with two equivalent O(8)Li3Fe2Ni pentagonal pyramids, edges with two equivalent O(12)Li4Fe2 pentagonal pyramids, and edges with two equivalent O(4)Li4Fe2 pentagonal pyramids. In the seventh O site, O(7) is bonded to one Li(3), one Li(5), one Li(6), one Fe(2), one Fe(4), and one Ni(1) atom to form distorted OLi3Fe2Ni pentagonal pyramids that share corners with two equivalent O(11)Li3Fe2Ni pentagonal pyramids, corners with two equivalent O(8)Li3Fe2Ni pentagonal pyramids, corners with two equivalent O(4)Li4Fe2 pentagonal pyramids,  an edgeedge with one O(11)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(3)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(9)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(12)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(4)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(6)Li4Fe2 pentagonal pyramid, edges with two equivalent O(5)Li3Fe2Ni pentagonal pyramids, edges with two equivalent O(1)Li4Fe2 pentagonal pyramids, and edges with two equivalent O(10)Li4Fe2 pentagonal pyramids. In the eighth O site, O(8) is bonded to one Li(4), one Li(5), one Li(7), one Fe(1), one Fe(3), and one Ni(1) atom to form distorted OLi3Fe2Ni pentagonal pyramids that share corners with two equivalent O(3)Li3Fe2Ni pentagonal pyramids, corners with two equivalent O(7)Li3Fe2Ni pentagonal pyramids, corners with two equivalent O(12)Li4Fe2 pentagonal pyramids,  an edgeedge with one O(11)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(3)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(5)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(10)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(12)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(4)Li4Fe2 pentagonal pyramid, edges with two equivalent O(9)Li3Fe2Ni pentagonal pyramids, edges with two equivalent O(2)Li4Fe2 pentagonal pyramids, and edges with two equivalent O(6)Li4Fe2 pentagonal pyramids. In the ninth O site, O(9) is bonded to one Li(1), one Li(6), one Li(7), one Fe(1), one Fe(3), and one Ni(1) atom to form distorted OLi3Fe2Ni pentagonal pyramids that share corners with two equivalent O(5)Li3Fe2Ni pentagonal pyramids, corners with two equivalent O(10)Li4Fe2 pentagonal pyramids, corners with two equivalent O(2)Li4Fe2 pentagonal pyramids,  an edgeedge with one O(5)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(7)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(1)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(12)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(2)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(6)Li4Fe2 pentagonal pyramid, edges with two equivalent O(11)Li3Fe2Ni pentagonal pyramids, edges with two equivalent O(3)Li3Fe2Ni pentagonal pyramids, and edges with two equivalent O(8)Li3Fe2Ni pentagonal pyramids. In the tenth O site, O(10) is bonded to one Li(2), one Li(5), one Li(6), one Li(7), one Fe(2), and one Fe(4) atom to form distorted OLi4Fe2 pentagonal pyramids that share corners with two equivalent O(9)Li3Fe2Ni pentagonal pyramids, corners with two equivalent O(1)Li4Fe2 pentagonal pyramids, corners with two equivalent O(6)Li4Fe2 pentagonal pyramids,  an edgeedge with one O(11)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(5)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(8)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(1)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(2)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(6)Li4Fe2 pentagonal pyramid, edges with two equivalent O(7)Li3Fe2Ni pentagonal pyramids, edges with two equivalent O(12)Li4Fe2 pentagonal pyramids, and edges with two equivalent O(4)Li4Fe2 pentagonal pyramids. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Li(6), one Fe(1), one Fe(4), and one Ni(1) atom to form distorted OLi3Fe2Ni pentagonal pyramids that share corners with two equivalent O(3)Li3Fe2Ni pentagonal pyramids, corners with two equivalent O(7)Li3Fe2Ni pentagonal pyramids, corners with two equivalent O(12)Li4Fe2 pentagonal pyramids,  an edgeedge with one O(3)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(7)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(8)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(10)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(2)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(4)Li4Fe2 pentagonal pyramid, edges with two equivalent O(5)Li3Fe2Ni pentagonal pyramids, edges with two equivalent O(9)Li3Fe2Ni pentagonal pyramids, and edges with two equivalent O(1)Li4Fe2 pentagonal pyramids. In the twelfth O site, O(12) is bonded to one Li(2), one Li(4), one Li(5), one Li(7), one Fe(1), and one Fe(4) atom to form distorted OLi4Fe2 pentagonal pyramids that share corners with two equivalent O(11)Li3Fe2Ni pentagonal pyramids, corners with two equivalent O(8)Li3Fe2Ni pentagonal pyramids, corners with two equivalent O(4)Li4Fe2 pentagonal pyramids,  an edgeedge with one O(3)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(7)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(8)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(9)Li3Fe2Ni pentagonal pyramid,  an edgeedge with one O(1)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(4)Li4Fe2 pentagonal pyramid, edges with two equivalent O(10)Li4Fe2 pentagonal pyramids, edges with two equivalent O(2)Li4Fe2 pentagonal pyramids, and edges with two equivalent O(6)Li4Fe2 pentagonal pyramids.