Abstract
Crystals of LiAlB 14 were grown from a high temperature AlB solution containing a small amount of lithium. The crystals are orthorhombic with a = 5.8469(9) A ̊ , b = 8.1429(8) A ̊ , c = 10.3542(6) A ̊ , Z = 4 and space group Imam. A total of 1871 independent reflections (Mo Kα; 2θ < 120° ) were measured by a single-crystal diffractometer and used in the block diagonal least-squares refinement to a final R value of 2.4%. The boron structure of the crystals is the same as that of MgAlB 14; it consists of B 12 icosahedra arranged in a distorted simple hexagonal packing with isolated boron atoms at an interstitial site. The lithium site, which corresponds to the magnesium site of MgAlB 14, is fully occupied, and the aluminium site is occupied up to 95.60(4)%. Both lithium and aluminium atoms show remarkable anisotropic thermal motion, and a close interrelation is seen between the thermal ellipsoid of each metal atom and the geometry of the hole accommodating it.
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