Li3RuCoO5 is alpha Po-derived structured and crystallizes in the monoclinic C2/m space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Ru(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ru(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Ru(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ru(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the third Li site, Li(3) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the fourth Li site, Li(4) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. Ru(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form RuO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra,  an edgeedge with one Ru(1)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, edges with two equivalent Li(4)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. Co(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with three equivalent Ru(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Ru(1), and one Co(1) atom to form OLi4CoRu octahedra that share corners with two equivalent O(3)Li3Co2Ru octahedra, corners with four equivalent O(1)Li4CoRu octahedra, edges with three equivalent O(1)Li4CoRu octahedra, edges with four equivalent O(2)Li4Ru2 octahedra, and edges with five equivalent O(3)Li3Co2Ru octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second O site, O(2) is bonded to one Li(3), one Li(4), two equivalent Li(2), and two equivalent Ru(1) atoms to form OLi4Ru2 octahedra that share corners with two equivalent O(2)Li4Ru2 octahedra, corners with four equivalent O(3)Li3Co2Ru octahedra, edges with two equivalent O(3)Li3Co2Ru octahedra, edges with two equivalent O(2)Li4Ru2 octahedra, and edges with eight equivalent O(1)Li4CoRu 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), one Ru(1), and two equivalent Co(1) atoms to form OLi3Co2Ru octahedra that share corners with two equivalent O(3)Li3Co2Ru octahedra, corners with two equivalent O(1)Li4CoRu octahedra, corners with two equivalent O(2)Li4Ru2 octahedra,  an edgeedge with one O(2)Li4Ru2 octahedra, edges with five equivalent O(1)Li4CoRu octahedra, and edges with six equivalent O(3)Li3Co2Ru octahedra. The corner-sharing octahedral tilt angles range from 1-6°.
Li3RuCoO5 is alpha Po-derived structured and crystallizes in the monoclinic C2/m space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Ru(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ru(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. Both Li(1)-O(1) bond lengths are 2.11 Å. There are two shorter (2.12 Å) and two longer (2.24 Å) Li(1)-O(3) bond lengths. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Ru(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ru(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. Both Li(2)-O(1) bond lengths are 2.24 Å. Both Li(2)-O(2) bond lengths are 2.18 Å. Both Li(2)-O(3) bond lengths are 2.14 Å. In the third Li site, Li(3) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. Both Li(3)-O(2) bond lengths are 2.08 Å. All Li(3)-O(1) bond lengths are 2.16 Å. In the fourth Li site, Li(4) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. Both Li(4)-O(2) bond lengths are 2.13 Å. All Li(4)-O(1) bond lengths are 2.12 Å. Ru(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form RuO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra,  an edgeedge with one Ru(1)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, edges with two equivalent Li(4)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. Both Ru(1)-O(1) bond lengths are 1.96 Å. Both Ru(1)-O(2) bond lengths are 2.04 Å. Both Ru(1)-O(3) bond lengths are 1.99 Å. Co(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with three equivalent Ru(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. Both Co(1)-O(1) bond lengths are 2.05 Å. There are two shorter (2.09 Å) and two longer (2.14 Å) Co(1)-O(3) bond lengths. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Ru(1), and one Co(1) atom to form OLi4CoRu octahedra that share corners with two equivalent O(3)Li3Co2Ru octahedra, corners with four equivalent O(1)Li4CoRu octahedra, edges with three equivalent O(1)Li4CoRu octahedra, edges with four equivalent O(2)Li4Ru2 octahedra, and edges with five equivalent O(3)Li3Co2Ru octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second O site, O(2) is bonded to one Li(3), one Li(4), two equivalent Li(2), and two equivalent Ru(1) atoms to form OLi4Ru2 octahedra that share corners with two equivalent O(2)Li4Ru2 octahedra, corners with four equivalent O(3)Li3Co2Ru octahedra, edges with two equivalent O(3)Li3Co2Ru octahedra, edges with two equivalent O(2)Li4Ru2 octahedra, and edges with eight equivalent O(1)Li4CoRu 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), one Ru(1), and two equivalent Co(1) atoms to form OLi3Co2Ru octahedra that share corners with two equivalent O(3)Li3Co2Ru octahedra, corners with two equivalent O(1)Li4CoRu octahedra, corners with two equivalent O(2)Li4Ru2 octahedra,  an edgeedge with one O(2)Li4Ru2 octahedra, edges with five equivalent O(1)Li4CoRu octahedra, and edges with six equivalent O(3)Li3Co2Ru octahedra. The corner-sharing octahedral tilt angles range from 1-6°.