Materials Data on La6Al3Ni4SnRu by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1694922· OSTI ID:1694922

La6RuNi4Al3Sn crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 5-coordinate geometry to three Ni and two equivalent Sn atoms. There are one shorter (2.89 Å) and two longer (2.92 Å) La–Ni bond lengths. Both La–Sn bond lengths are 3.40 Å. In the second La site, La is bonded in a 2-coordinate geometry to two equivalent Ru, four equivalent Ni, two equivalent Al, and one Sn atom. Both La–Ru bond lengths are 3.00 Å. All La–Ni bond lengths are 3.20 Å. Both La–Al bond lengths are 3.42 Å. The La–Sn bond length is 3.44 Å. Ru is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Ni atoms. All Ru–Ni bond lengths are 2.59 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent La and six equivalent Al atoms. All Ni–Al bond lengths are 2.66 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six La, one Ru, and two equivalent Al atoms. Both Ni–Al bond lengths are 2.53 Å. Al is bonded in a 12-coordinate geometry to two equivalent La and four Ni atoms. Sn 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: 1694922
• Report Number(s): mp-1211354
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Al-La-Ni-Ru-Sn
La6Al3Ni4SnRu
crystal structure