Materials Data on La2AlNi9 by Materials Project
La2Ni9Al crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to sixteen Ni and two equivalent Al atoms. There are a spread of La–Ni bond distances ranging from 2.85–3.28 Å. Both La–Al bond lengths are 3.30 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent La, five Ni, and one Al atom. There are two shorter (2.47 Å) and three longer (2.48 Å) Ni–Ni bond lengths. The Ni–Al bond length is 2.47 Å. In the second Ni site, Ni is bonded to four equivalent La and eight Ni atoms to form a mixture of corner, edge, and face-sharing NiLa4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.49 Å. In the third Ni site, Ni is bonded to four equivalent La, six Ni, and two equivalent Al atoms to form distorted NiLa4Al2Ni6 cuboctahedra that share corners with sixteen NiLa4Ni8 cuboctahedra, edges with ten NiLa4Ni8 cuboctahedra, and faces with six NiLa4Al2Ni6 cuboctahedra. Both Ni–Ni bond lengths are 2.52 Å. Both Ni–Al bond lengths are 2.49 Å. In the fourth Ni site, Ni is bonded to four equivalent La and eight Ni atoms to form NiLa4Ni8 cuboctahedra that share corners with twelve NiLa4Al2Ni6 cuboctahedra, edges with six NiLa4Al2Ni6 cuboctahedra, and faces with ten NiLa4Ni8 cuboctahedra. Both Ni–Ni bond lengths are 2.52 Å. Al is bonded in a 12-coordinate geometry to four equivalent La and eight Ni atoms.
- 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:
- 1274216
- Report Number(s):
- mp-568040
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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