Materials Data on Sc6Al16Os7 by Materials Project

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

DOI:https://doi.org/10.17188/1728965· OSTI ID:1728965

Sc6Os7Al16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to four equivalent Os and eight Al atoms. All Sc–Os bond lengths are 3.14 Å. There are four shorter (2.92 Å) and four longer (2.96 Å) Sc–Al bond lengths. There are two inequivalent Os sites. In the first Os site, Os is bonded to four equivalent Sc and eight Al atoms to form a mixture of distorted corner and face-sharing OsSc4Al8 cuboctahedra. There are four shorter (2.53 Å) and four longer (2.72 Å) Os–Al bond lengths. In the second Os site, Os is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Os–Al bond lengths are 2.60 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three equivalent Sc and three equivalent Os atoms. In the second Al site, Al is bonded in a 4-coordinate geometry to three equivalent Sc and four Os 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: 1728965
• Report Number(s): mp-1194206
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Al-Os-Sc
Sc6Al16Os7
crystal structure