Materials Data on LiBeB by Materials Project
LiBeB crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one LiBeB sheet oriented in the (0, 0, 1) direction. Li1+ is bonded in a 3-coordinate geometry to three equivalent B3- atoms. There are one shorter (2.28 Å) and two longer (2.33 Å) Li–B bond lengths. Be2+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing BeB4 tetrahedra. There are a spread of Be–B bond distances ranging from 1.88–1.96 Å. B3- is bonded in a 9-coordinate geometry to three equivalent Li1+, four equivalent Be2+, and two equivalent B3- atoms. Both B–B bond lengths are 1.74 Å.
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