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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on La5CuBi3 by Materials Project

La5CuBi3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 6-coordinate geometry to six equivalent Bi atoms. All La–Bi bond lengths are 3.49 Å. In the second La site, La is bonded to two equivalent Cu and five equivalent Bi atoms to form a mixture of distorted edge, corner, and face-sharing LaCu2Bi5 pentagonal bipyramids. Both La–Cu bond lengths are 3.05 Å. There are a spread of La–Bi bond distances ranging from 3.34–3.58 Å. Cu is bonded to six equivalent La atoms to form face-sharing CuLa6 octahedra. Bi is bonded in a 9-coordinate geometry to nine La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3Cu3Bi4 by Materials Project

La3Cu3Bi4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to four equivalent Cu and eight equivalent Bi atoms. All La–Cu bond lengths are 3.11 Å. There are four shorter (3.46 Å) and four longer (3.56 Å) La–Bi bond lengths. Cu is bonded in a 8-coordinate geometry to four equivalent La and four equivalent Bi atoms. All Cu–Bi bond lengths are 2.82 Å. Bi is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Cu atoms.

36 MATERIALS SCIENCE↗