Li5Ni3(SnO5)2 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the second Li site, Li(2) is bonded to one O(1), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(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 three equivalent Li(3)O6 octahedra, and edges with three equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the third Li site, Li(3) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Sn(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the second Ni site, Ni(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. Sn(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form SnO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Sn(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Ni(1), two equivalent Ni(2), and one Sn(1) atom to form OLi2Ni3Sn octahedra that share  a cornercorner with one O(1)Li2Ni3Sn octahedra,  a cornercorner with one O(2)Li2Ni3Sn octahedra,  a cornercorner with one O(4)Li3Ni2Sn octahedra,  a cornercorner with one O(3)Li4Sn2 octahedra, corners with two equivalent O(5)Li4NiSn octahedra,  an edgeedge with one O(1)Li2Ni3Sn octahedra, edges with two equivalent O(5)Li4NiSn octahedra, edges with two equivalent O(3)Li4Sn2 octahedra, edges with three equivalent O(4)Li3Ni2Sn octahedra, and edges with four equivalent O(2)Li2Ni3Sn octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second O site, O(2) is bonded to two equivalent Li(3), one Ni(1), two equivalent Ni(2), and one Sn(1) atom to form OLi2Ni3Sn octahedra that share  a cornercorner with one O(1)Li2Ni3Sn octahedra,  a cornercorner with one O(2)Li2Ni3Sn octahedra,  a cornercorner with one O(4)Li3Ni2Sn octahedra,  a cornercorner with one O(5)Li4NiSn octahedra, corners with two equivalent O(3)Li4Sn2 octahedra,  an edgeedge with one O(3)Li4Sn2 octahedra, edges with two equivalent O(2)Li2Ni3Sn octahedra, edges with two equivalent O(5)Li4NiSn octahedra, edges with three equivalent O(4)Li3Ni2Sn octahedra, and edges with four equivalent O(1)Li2Ni3Sn octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the third O site, O(3) is bonded to one Li(1), one Li(3), two equivalent Li(2), and two equivalent Sn(1) atoms to form OLi4Sn2 octahedra that share  a cornercorner with one O(1)Li2Ni3Sn octahedra,  a cornercorner with one O(4)Li3Ni2Sn octahedra,  a cornercorner with one O(5)Li4NiSn octahedra,  a cornercorner with one O(3)Li4Sn2 octahedra, corners with two equivalent O(2)Li2Ni3Sn octahedra,  an edgeedge with one O(2)Li2Ni3Sn octahedra, edges with two equivalent O(1)Li2Ni3Sn octahedra, edges with two equivalent O(3)Li4Sn2 octahedra, edges with three equivalent O(4)Li3Ni2Sn octahedra, and edges with four equivalent O(5)Li4NiSn octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Ni(1), one Ni(2), and one Sn(1) atom to form OLi3Ni2Sn octahedra that share  a cornercorner with one O(1)Li2Ni3Sn octahedra,  a cornercorner with one O(2)Li2Ni3Sn octahedra,  a cornercorner with one O(5)Li4NiSn octahedra,  a cornercorner with one O(3)Li4Sn2 octahedra, corners with two equivalent O(4)Li3Ni2Sn octahedra, edges with three equivalent O(1)Li2Ni3Sn octahedra, edges with three equivalent O(2)Li2Ni3Sn octahedra, edges with three equivalent O(5)Li4NiSn octahedra, and edges with three equivalent O(3)Li4Sn2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), two equivalent Li(2), one Ni(2), and one Sn(1) atom to form OLi4NiSn octahedra that share  a cornercorner with one O(2)Li2Ni3Sn octahedra,  a cornercorner with one O(4)Li3Ni2Sn octahedra,  a cornercorner with one O(5)Li4NiSn octahedra,  a cornercorner with one O(3)Li4Sn2 octahedra, corners with two equivalent O(1)Li2Ni3Sn octahedra,  an edgeedge with one O(5)Li4NiSn octahedra, edges with two equivalent O(1)Li2Ni3Sn octahedra, edges with two equivalent O(2)Li2Ni3Sn octahedra, edges with three equivalent O(4)Li3Ni2Sn octahedra, and edges with four equivalent O(3)Li4Sn2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°.
Li5Ni3(SnO5)2 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. Both Li(1)-O(3) bond lengths are 2.10 Å. Both Li(1)-O(4) bond lengths are 2.34 Å. Both Li(1)-O(5) bond lengths are 2.16 Å. In the second Li site, Li(2) is bonded to one O(1), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(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 three equivalent Li(3)O6 octahedra, and edges with three equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. The Li(2)-O(1) bond length is 2.27 Å. The Li(2)-O(4) bond length is 2.23 Å. There is one shorter (2.22 Å) and one longer (2.23 Å) Li(2)-O(3) bond length. There is one shorter (2.01 Å) and one longer (2.24 Å) Li(2)-O(5) bond length. In the third Li site, Li(3) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Sn(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. The Li(3)-O(1) bond length is 2.22 Å. The Li(3)-O(3) bond length is 2.26 Å. The Li(3)-O(4) bond length is 2.08 Å. The Li(3)-O(5) bond length is 2.10 Å. There is one shorter (2.20 Å) and one longer (2.25 Å) Li(3)-O(2) bond length. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. Both Ni(1)-O(1) bond lengths are 2.18 Å. Both Ni(1)-O(2) bond lengths are 2.06 Å. Both Ni(1)-O(4) bond lengths are 1.99 Å. In the second Ni site, Ni(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. The Ni(2)-O(4) bond length is 2.09 Å. The Ni(2)-O(5) bond length is 2.06 Å. There is one shorter (2.07 Å) and one longer (2.09 Å) Ni(2)-O(1) bond length. Both Ni(2)-O(2) bond lengths are 2.14 Å. Sn(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form SnO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Sn(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. The Sn(1)-O(1) bond length is 2.11 Å. The Sn(1)-O(2) bond length is 2.12 Å. The Sn(1)-O(4) bond length is 2.10 Å. The Sn(1)-O(5) bond length is 2.04 Å. There is one shorter (2.08 Å) and one longer (2.12 Å) Sn(1)-O(3) bond length. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Ni(1), two equivalent Ni(2), and one Sn(1) atom to form OLi2Ni3Sn octahedra that share  a cornercorner with one O(1)Li2Ni3Sn octahedra,  a cornercorner with one O(2)Li2Ni3Sn octahedra,  a cornercorner with one O(4)Li3Ni2Sn octahedra,  a cornercorner with one O(3)Li4Sn2 octahedra, corners with two equivalent O(5)Li4NiSn octahedra,  an edgeedge with one O(1)Li2Ni3Sn octahedra, edges with two equivalent O(5)Li4NiSn octahedra, edges with two equivalent O(3)Li4Sn2 octahedra, edges with three equivalent O(4)Li3Ni2Sn octahedra, and edges with four equivalent O(2)Li2Ni3Sn octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second O site, O(2) is bonded to two equivalent Li(3), one Ni(1), two equivalent Ni(2), and one Sn(1) atom to form OLi2Ni3Sn octahedra that share  a cornercorner with one O(1)Li2Ni3Sn octahedra,  a cornercorner with one O(2)Li2Ni3Sn octahedra,  a cornercorner with one O(4)Li3Ni2Sn octahedra,  a cornercorner with one O(5)Li4NiSn octahedra, corners with two equivalent O(3)Li4Sn2 octahedra,  an edgeedge with one O(3)Li4Sn2 octahedra, edges with two equivalent O(2)Li2Ni3Sn octahedra, edges with two equivalent O(5)Li4NiSn octahedra, edges with three equivalent O(4)Li3Ni2Sn octahedra, and edges with four equivalent O(1)Li2Ni3Sn octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the third O site, O(3) is bonded to one Li(1), one Li(3), two equivalent Li(2), and two equivalent Sn(1) atoms to form OLi4Sn2 octahedra that share  a cornercorner with one O(1)Li2Ni3Sn octahedra,  a cornercorner with one O(4)Li3Ni2Sn octahedra,  a cornercorner with one O(5)Li4NiSn octahedra,  a cornercorner with one O(3)Li4Sn2 octahedra, corners with two equivalent O(2)Li2Ni3Sn octahedra,  an edgeedge with one O(2)Li2Ni3Sn octahedra, edges with two equivalent O(1)Li2Ni3Sn octahedra, edges with two equivalent O(3)Li4Sn2 octahedra, edges with three equivalent O(4)Li3Ni2Sn octahedra, and edges with four equivalent O(5)Li4NiSn octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Ni(1), one Ni(2), and one Sn(1) atom to form OLi3Ni2Sn octahedra that share  a cornercorner with one O(1)Li2Ni3Sn octahedra,  a cornercorner with one O(2)Li2Ni3Sn octahedra,  a cornercorner with one O(5)Li4NiSn octahedra,  a cornercorner with one O(3)Li4Sn2 octahedra, corners with two equivalent O(4)Li3Ni2Sn octahedra, edges with three equivalent O(1)Li2Ni3Sn octahedra, edges with three equivalent O(2)Li2Ni3Sn octahedra, edges with three equivalent O(5)Li4NiSn octahedra, and edges with three equivalent O(3)Li4Sn2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), two equivalent Li(2), one Ni(2), and one Sn(1) atom to form OLi4NiSn octahedra that share  a cornercorner with one O(2)Li2Ni3Sn octahedra,  a cornercorner with one O(4)Li3Ni2Sn octahedra,  a cornercorner with one O(5)Li4NiSn octahedra,  a cornercorner with one O(3)Li4Sn2 octahedra, corners with two equivalent O(1)Li2Ni3Sn octahedra,  an edgeedge with one O(5)Li4NiSn octahedra, edges with two equivalent O(1)Li2Ni3Sn octahedra, edges with two equivalent O(2)Li2Ni3Sn octahedra, edges with three equivalent O(4)Li3Ni2Sn octahedra, and edges with four equivalent O(3)Li4Sn2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°.