SYNTHESIS AND CRYSTAL STRUCTURE OF LIXTI3O6 (X=0.74) - AN INTERGROWTH PHASE OF RUTILE AND RAMSDELLITE STRUCTURE

摘要

A new lithium titanate bronze, LixTi3O6 (x = 0.74), is black in color and crystallizes in monoclinic symmetry, space group C2/m with a = 14.1198(11) Angstrom, b = 2.9486(11) Angstrom, c = 4.9373(13) Angstrom, beta=92.693(14)degrees, and Z=2. The structure was determined from a single-crystal X-ray study and refined to the conventional values R = 0.043 and wR = 0.036 for 1022 observed reflections, The basic units of the structure are built up from rutile-type and double-rutile-type edge-shared TiO6 chains along the b axis, Lithium atoms are located in the ramsdellite-type tunnel sites with an occupancy factor of 0.37(2), This compound can be described as an intergrowth phase between ramsdellite-type Li0.5TiO2 and rutile-type TiO2. (C) 1997 Academic Press. [References: 16]