REFINEMENT OF STRICTURE OF LI2TIO3

The crystal structure of lithium titanate has been redetermined using x-ray diffraction patterns from flux-grown single crystals supplied by George Uhlig. Li2TiO3 is monoclinic, space group C2 c. with a = 5.041, b = 8.806, c = 9.726 A ̊, β = 100°01′, and Z = 8. Titanium and oxygen positions were obtained from Patterson maps, and the lighter lithium atoms located by Fourier difference methods. Atomic coordinates and temperature factors were refined by least squares analysis of 470 observed intensities. The mean bond lengths, Li-O 2. 14Å and Ti-O 1. 95Å, compare favorably with other oxides. The structure is a derivative structure of sodium chloride. The cation ordering found in Li2TiO3 is only one of several NaCl-like arrangements found in oxides. The superstructures with two cation valence types which are consistent with Pauling's rules, are derived from stereochemical arguments. © 1969.