Materials Data on La3ZnNi3 by Materials Project
La3Ni3Zn crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 9-coordinate geometry to six Ni and three equivalent Zn atoms. There are a spread of La–Ni bond distances ranging from 2.92–3.07 Å. There are one shorter (3.28 Å) and two longer (3.35 Å) La–Zn bond lengths. In the second La site, La is bonded in a 9-coordinate geometry to seven Ni and two equivalent Zn atoms. There are a spread of La–Ni bond distances ranging from 2.96–3.17 Å. Both La–Zn bond lengths are 3.41 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to seven La and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.62 Å. In the second Ni site, Ni is bonded in a 10-coordinate geometry to six La, two Ni, and two equivalent Zn atoms. The Ni–Ni bond length is 2.79 Å. Both Ni–Zn bond lengths are 2.55 Å. Zn is bonded to eight La and four equivalent Ni atoms to form a mixture of distorted face, edge, and corner-sharing ZnLa8Ni4 cuboctahedra.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1193174
- Report Number(s):
- mp-18573
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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