Li2Ni5O7 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra 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, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with four equivalent Ni(1)O6 octahedra, and edges with five equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(3), one O(4), and three equivalent O(1) atoms to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with three equivalent Ni(2)O6 octahedra, edges with three equivalent Ni(3)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second Ni site, Ni(2) is bonded to one O(1), two equivalent O(2), and three equivalent O(3) atoms to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, edges with three equivalent Ni(2)O6 octahedra, and edges with five equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third Ni site, Ni(3) 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 Ni(3)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Ni(2), one Ni(3), and three equivalent Ni(1) atoms to form OLiNi5 octahedra that share  a cornercorner with one O(2)Li2Ni4 octahedra, corners with two equivalent O(3)Li2Ni4 octahedra, corners with three equivalent O(1)LiNi5 octahedra, edges with two equivalent O(1)LiNi5 octahedra, edges with three equivalent O(3)Li2Ni4 octahedra, edges with three equivalent O(4)Li2Ni4 octahedra, and edges with four equivalent O(2)Li2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second O site, O(2) is bonded to two equivalent Li(1), one Ni(1), one Ni(3), and two equivalent Ni(2) atoms to form OLi2Ni4 octahedra that share  a cornercorner with one O(3)Li2Ni4 octahedra,  a cornercorner with one O(4)Li2Ni4 octahedra,  a cornercorner with one O(1)LiNi5 octahedra, corners with three equivalent O(2)Li2Ni4 octahedra,  an edgeedge with one O(2)Li2Ni4 octahedra, edges with two equivalent O(4)Li2Ni4 octahedra, edges with four equivalent O(1)LiNi5 octahedra, and edges with five equivalent O(3)Li2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to two equivalent Li(1), one Ni(1), and three equivalent Ni(2) atoms to form OLi2Ni4 octahedra that share  a cornercorner with one O(2)Li2Ni4 octahedra,  a cornercorner with one O(4)Li2Ni4 octahedra, corners with two equivalent O(3)Li2Ni4 octahedra, corners with two equivalent O(1)LiNi5 octahedra,  an edgeedge with one O(4)Li2Ni4 octahedra, edges with three equivalent O(3)Li2Ni4 octahedra, edges with three equivalent O(1)LiNi5 octahedra, and edges with five equivalent O(2)Li2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the fourth O site, O(4) is bonded to two equivalent Li(1), two equivalent Ni(1), and two equivalent Ni(3) atoms to form OLi2Ni4 octahedra that share corners with two equivalent O(2)Li2Ni4 octahedra, corners with two equivalent O(3)Li2Ni4 octahedra, corners with two equivalent O(4)Li2Ni4 octahedra, edges with two equivalent O(3)Li2Ni4 octahedra, edges with four equivalent O(2)Li2Ni4 octahedra, and edges with six equivalent O(1)LiNi5 octahedra. The corner-sharing octahedral tilt angles range from 0-4°.
Li2Ni5O7 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra 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, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with four equivalent Ni(1)O6 octahedra, and edges with five equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. The Li(1)-O(1) bond length is 2.14 Å. The Li(1)-O(4) bond length is 2.04 Å. Both Li(1)-O(2) bond lengths are 2.03 Å. There is one shorter (2.11 Å) and one longer (2.14 Å) Li(1)-O(3) bond length. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(3), one O(4), and three equivalent O(1) atoms to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with three equivalent Ni(2)O6 octahedra, edges with three equivalent Ni(3)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. The Ni(1)-O(2) bond length is 2.04 Å. The Ni(1)-O(3) bond length is 1.98 Å. The Ni(1)-O(4) bond length is 2.06 Å. There are two shorter (2.03 Å) and one longer (2.06 Å) Ni(1)-O(1) bond length. In the second Ni site, Ni(2) is bonded to one O(1), two equivalent O(2), and three equivalent O(3) atoms to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, edges with three equivalent Ni(2)O6 octahedra, and edges with five equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. The Ni(2)-O(1) bond length is 2.07 Å. There is one shorter (2.01 Å) and one longer (2.03 Å) Ni(2)-O(2) bond length. There is one shorter (1.98 Å) and two longer (2.03 Å) Ni(2)-O(3) bond lengths. In the third Ni site, Ni(3) 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 Ni(3)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Both Ni(3)-O(1) bond lengths are 1.97 Å. Both Ni(3)-O(2) bond lengths are 2.05 Å. Both Ni(3)-O(4) bond lengths are 2.03 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Ni(2), one Ni(3), and three equivalent Ni(1) atoms to form OLiNi5 octahedra that share  a cornercorner with one O(2)Li2Ni4 octahedra, corners with two equivalent O(3)Li2Ni4 octahedra, corners with three equivalent O(1)LiNi5 octahedra, edges with two equivalent O(1)LiNi5 octahedra, edges with three equivalent O(3)Li2Ni4 octahedra, edges with three equivalent O(4)Li2Ni4 octahedra, and edges with four equivalent O(2)Li2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second O site, O(2) is bonded to two equivalent Li(1), one Ni(1), one Ni(3), and two equivalent Ni(2) atoms to form OLi2Ni4 octahedra that share  a cornercorner with one O(3)Li2Ni4 octahedra,  a cornercorner with one O(4)Li2Ni4 octahedra,  a cornercorner with one O(1)LiNi5 octahedra, corners with three equivalent O(2)Li2Ni4 octahedra,  an edgeedge with one O(2)Li2Ni4 octahedra, edges with two equivalent O(4)Li2Ni4 octahedra, edges with four equivalent O(1)LiNi5 octahedra, and edges with five equivalent O(3)Li2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to two equivalent Li(1), one Ni(1), and three equivalent Ni(2) atoms to form OLi2Ni4 octahedra that share  a cornercorner with one O(2)Li2Ni4 octahedra,  a cornercorner with one O(4)Li2Ni4 octahedra, corners with two equivalent O(3)Li2Ni4 octahedra, corners with two equivalent O(1)LiNi5 octahedra,  an edgeedge with one O(4)Li2Ni4 octahedra, edges with three equivalent O(3)Li2Ni4 octahedra, edges with three equivalent O(1)LiNi5 octahedra, and edges with five equivalent O(2)Li2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the fourth O site, O(4) is bonded to two equivalent Li(1), two equivalent Ni(1), and two equivalent Ni(3) atoms to form OLi2Ni4 octahedra that share corners with two equivalent O(2)Li2Ni4 octahedra, corners with two equivalent O(3)Li2Ni4 octahedra, corners with two equivalent O(4)Li2Ni4 octahedra, edges with two equivalent O(3)Li2Ni4 octahedra, edges with four equivalent O(2)Li2Ni4 octahedra, and edges with six equivalent O(1)LiNi5 octahedra. The corner-sharing octahedral tilt angles range from 0-4°.