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DOE OSTI2020

Materials Data on LaB2Ir3 by Materials Project

LaIr3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to two equivalent La, twelve equivalent Ir, and six equivalent B atoms. Both La–La bond lengths are 3.12 Å. All La–Ir bond lengths are 3.20 Å. All La–B bond lengths are 3.23 Å. Ir is bonded in a distorted square co-planar geometry to four equivalent La and four equivalent B atoms. All Ir–B bond lengths are 2.25 Å. B is bonded in a 6-coordinate geometry to three equivalent La and six equivalent Ir atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on La(BIr)4 by Materials Project

La(IrB)4 is alpha Pu-derived structured and crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. La is bonded in a 4-coordinate geometry to eight equivalent Ir and twelve equivalent B atoms. There are four shorter (3.19 Å) and four longer (3.29 Å) La–Ir bond lengths. There are a spread of La–B bond distances ranging from 2.94–3.47 Å. Ir is bonded in a 4-coordinate geometry to two equivalent La and four equivalent B atoms. There are a spread of Ir–B bond distances ranging from 2.11–2.17 Å. B is bonded in a 6-coordinate geometry to three equivalent La, four equivalent Ir, and one B atom. The B–B bond length is 1.88 Å.

36 MATERIALS SCIENCE↗