To the knowledge of the α-LiFeO2 type: An examination of LiScO2 and NaNdO2

Abstract

Abstract The crystal structures of LiScO2 and NaNdO2 were investigated. They belong to the α-LiFeO2 type and can be regarded as “stuffed” derivatives of the anatase type. Starting from observed distances d (MIII – O), it is not possible to deduce a, c, c/a or Z 0. The same holds for three hypothetical modifications derived from the NaCl type. The Madelung Part of Lattice Energy, MAPLE, which is calculated for these oxides and the hypothetical forms cannot explain the adopted values of a, c, and z 0.