Li5Co(Ni2O5)2 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the second Li site, Li(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. In the third Li site, Li(3) is bonded to one O(1), two equivalent O(4), and three equivalent O(5) atoms to form LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with five equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. Co(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. In the second Ni site, Ni(2) is bonded to one O(4), two equivalent O(1), and three equivalent O(5) atoms to form NiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with four equivalent Ni(2)O6 octahedra, and edges with five equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), two equivalent Li(1), one Ni(1), and two equivalent Ni(2) atoms to form OLi3Ni3 octahedra that share corners with three equivalent O(3)Li3Co2Ni octahedra, corners with three equivalent O(5)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Co2Ni octahedra, edges with two equivalent O(2)Li3CoNi2 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, edges with three equivalent O(5)Li3Ni3 octahedra, and edges with four equivalent O(4)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), one Co(1), and two equivalent Ni(1) atoms to form OLi3CoNi2 octahedra that share corners with three equivalent O(2)Li3CoNi2 octahedra, corners with three equivalent O(4)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, edges with three equivalent O(2)Li3CoNi2 octahedra, and edges with six equivalent O(3)Li3Co2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), two equivalent Co(1), and one Ni(1) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(3)Li3Co2Ni octahedra, corners with three equivalent O(1)Li3Ni3 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra, edges with two equivalent O(4)Li3Ni3 octahedra, edges with three equivalent O(3)Li3Co2Ni octahedra, and edges with six equivalent O(2)Li3CoNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Li(3), one Ni(2), and two equivalent Ni(1) atoms to form OLi3Ni3 octahedra that share corners with three equivalent O(2)Li3CoNi2 octahedra, corners with three equivalent O(5)Li3Ni3 octahedra,  an edgeedge with one O(2)Li3CoNi2 octahedra, edges with two equivalent O(3)Li3Co2Ni octahedra, edges with two equivalent O(4)Li3Ni3 octahedra, edges with three equivalent O(5)Li3Ni3 octahedra, and edges with four equivalent O(1)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the fifth O site, O(5) is bonded to three equivalent Li(3) and three equivalent Ni(2) atoms to form a mixture of edge and corner-sharing OLi3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°.
Li5Co(Ni2O5)2 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. The Li(1)-O(2) bond length is 2.24 Å. The Li(1)-O(4) bond length is 2.19 Å. Both Li(1)-O(1) bond lengths are 2.06 Å. Both Li(1)-O(3) bond lengths are 2.25 Å. In the second Li site, Li(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. Both Li(2)-O(3) bond lengths are 2.04 Å. All Li(2)-O(2) bond lengths are 2.11 Å. In the third Li site, Li(3) is bonded to one O(1), two equivalent O(4), and three equivalent O(5) atoms to form LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with five equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. The Li(3)-O(1) bond length is 2.03 Å. Both Li(3)-O(4) bond lengths are 2.10 Å. There are two shorter (2.15 Å) and one longer (2.18 Å) Li(3)-O(5) bond length. Co(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. Both Co(1)-O(2) bond lengths are 1.88 Å. All Co(1)-O(3) bond lengths are 1.93 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. The Ni(1)-O(1) bond length is 2.04 Å. The Ni(1)-O(3) bond length is 2.08 Å. Both Ni(1)-O(2) bond lengths are 2.03 Å. Both Ni(1)-O(4) bond lengths are 2.03 Å. In the second Ni site, Ni(2) is bonded to one O(4), two equivalent O(1), and three equivalent O(5) atoms to form NiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with four equivalent Ni(2)O6 octahedra, and edges with five equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. The Ni(2)-O(4) bond length is 1.90 Å. Both Ni(2)-O(1) bond lengths are 2.00 Å. There is one shorter (1.91 Å) and two longer (2.01 Å) Ni(2)-O(5) bond lengths. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), two equivalent Li(1), one Ni(1), and two equivalent Ni(2) atoms to form OLi3Ni3 octahedra that share corners with three equivalent O(3)Li3Co2Ni octahedra, corners with three equivalent O(5)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Co2Ni octahedra, edges with two equivalent O(2)Li3CoNi2 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, edges with three equivalent O(5)Li3Ni3 octahedra, and edges with four equivalent O(4)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), one Co(1), and two equivalent Ni(1) atoms to form OLi3CoNi2 octahedra that share corners with three equivalent O(2)Li3CoNi2 octahedra, corners with three equivalent O(4)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, edges with three equivalent O(2)Li3CoNi2 octahedra, and edges with six equivalent O(3)Li3Co2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), two equivalent Co(1), and one Ni(1) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(3)Li3Co2Ni octahedra, corners with three equivalent O(1)Li3Ni3 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra, edges with two equivalent O(4)Li3Ni3 octahedra, edges with three equivalent O(3)Li3Co2Ni octahedra, and edges with six equivalent O(2)Li3CoNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Li(3), one Ni(2), and two equivalent Ni(1) atoms to form OLi3Ni3 octahedra that share corners with three equivalent O(2)Li3CoNi2 octahedra, corners with three equivalent O(5)Li3Ni3 octahedra,  an edgeedge with one O(2)Li3CoNi2 octahedra, edges with two equivalent O(3)Li3Co2Ni octahedra, edges with two equivalent O(4)Li3Ni3 octahedra, edges with three equivalent O(5)Li3Ni3 octahedra, and edges with four equivalent O(1)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the fifth O site, O(5) is bonded to three equivalent Li(3) and three equivalent Ni(2) atoms to form a mixture of edge and corner-sharing OLi3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°.