Crystal structure and morphology of a new compound, LiB

The crystal structure and morphology of the compound LiB, used as a refractory frame in the advanced thermal battery anode of Li–B alloys, have been determined. The X-ray diffraction (XRD) pattern of the compound indicates that its composition is LiB, it belongs to space group No.194, P63/mmc, with hexagonal structure, a=0.4022 nm and c=0.2796 nm. In the unit cell, B atoms occupy the position (2b) (0,0,1/4) and Li (2c) (1/3,2/3,1/4). The theoretical density of the compound is 1.50 g/cm3. SEM results indicate that the compound is in the form of a fiber with random orientation. After rolling, the LiB fibers align along the rolling direction. The corresponding texture has been verified by X-ray photography and XRD patterns, and it fits well with theoretical predictions.