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.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1704363
- Report Number(s):
- mp-1189076
- Country of Publication:
- United States
- Language:
- English
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