Materials Data on CeB4 by Materials Project
CeB4 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to eighteen B atoms. There are a spread of Ce–B bond distances ranging from 2.74–3.06 Å. There are three inequivalent B sites. In the first B site, B is bonded in a 1-coordinate geometry to four equivalent Ce and five B atoms. There is one shorter (1.65 Å) and four longer (1.77 Å) B–B bond length. In the second B site, B is bonded in a 9-coordinate geometry to four equivalent Ce and five B atoms. There is one shorter (1.73 Å) and two longer (1.83 Å) B–B bond length. In the third B site, B is bonded in a distorted trigonal planar geometry to six equivalent Ce and three B atoms. The B–B bond length is 1.79 Å.
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