Materials Data on La3(GaNi)2 by Materials Project
La3Ni2Ga2 crystallizes in the orthorhombic Pbcm 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 four equivalent Ni and five Ga atoms. All La–Ni bond lengths are 3.20 Å. There are a spread of La–Ga bond distances ranging from 3.07–3.30 Å. In the second La site, La is bonded in a 4-coordinate geometry to four equivalent Ni and five Ga atoms. There are a spread of La–Ni bond distances ranging from 2.82–3.35 Å. There are a spread of La–Ga bond distances ranging from 3.19–3.43 Å. Ni is bonded in a 10-coordinate geometry to six La, one Ni, and three Ga atoms. The Ni–Ni bond length is 2.70 Å. There are a spread of Ni–Ga bond distances ranging from 2.54–2.64 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to seven La and two equivalent Ni atoms. In the second Ga site, Ga is bonded to eight La and four equivalent Ni atoms to form a mixture of distorted corner, edge, and face-sharing GaLa8Ni4 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:
- 1196975
- Report Number(s):
- mp-21529
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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