Abstract: | Li3InO3 crystallises trigonal, P3 c1, with a = 9.6064, c = 10.420 Å, c/a = 1.0647, Z = 12 and In1 in 2(a), In2: 4(d), In3: 6(f), and O1, O2, O3, Li1, Li2, Li3 each in 12 (g). According to Li24]{In □1/3}O2 Li3InO3 is a “stuffed derivative” of a layer structure of the CdJ2 type. Calculations of the Madelung Part of Lattice Energy MAPLE] assure the localisation of Li by X-Ray work and explain why In2, O1, O2, and O3 depart from “ideal” positions. |