RbLi7(NiO3)2 crystallizes in the monoclinic C2/m space group. Rb(1) is bonded in a 4-coordinate geometry to four equivalent O(3) atoms. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the second Li site, Li(2) is bonded to one O(1) and three equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the third Li site, Li(3) is bonded to one O(1) and three equivalent O(2) atoms to form a mixture of corner and edge-sharing LiO4 tetrahedra. In the fourth Li site, Li(4) is bonded in a linear geometry to two equivalent O(2) atoms. Ni(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), and one Ni(1) atom. In the second O site, O(2) is bonded to one Li(1), one Li(4), three equivalent Li(3), and one Ni(1) atom to form a mixture of distorted corner and edge-sharing OLi5Ni octahedra. The corner-sharing octahedral tilt angles range from 0-45°. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Rb(1), one Li(1), three equivalent Li(2), and one Ni(1) atom.
RbLi7(NiO3)2 crystallizes in the monoclinic C2/m space group. Rb(1) is bonded in a 4-coordinate geometry to four equivalent O(3) atoms. All Rb(1)-O(3) bond lengths are 2.95 Å. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. The Li(1)-O(2) bond length is 2.11 Å. The Li(1)-O(3) bond length is 2.16 Å. Both Li(1)-O(1) bond lengths are 1.95 Å. In the second Li site, Li(2) is bonded to one O(1) and three equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. The Li(2)-O(1) bond length is 2.09 Å. There are two shorter (1.98 Å) and one longer (2.10 Å) Li(2)-O(3) bond length. In the third Li site, Li(3) is bonded to one O(1) and three equivalent O(2) atoms to form a mixture of corner and edge-sharing LiO4 tetrahedra. The Li(3)-O(1) bond length is 2.12 Å. There is one shorter (1.97 Å) and two longer (1.99 Å) Li(3)-O(2) bond lengths. In the fourth Li site, Li(4) is bonded in a linear geometry to two equivalent O(2) atoms. Both Li(4)-O(2) bond lengths are 1.90 Å. Ni(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The Ni(1)-O(1) bond length is 1.86 Å. The Ni(1)-O(2) bond length is 1.87 Å. The Ni(1)-O(3) bond length is 1.85 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), and one Ni(1) atom. In the second O site, O(2) is bonded to one Li(1), one Li(4), three equivalent Li(3), and one Ni(1) atom to form a mixture of distorted corner and edge-sharing OLi5Ni octahedra. The corner-sharing octahedral tilt angles range from 0-45°. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Rb(1), one Li(1), three equivalent Li(2), and one Ni(1) atom.