Materials Data on Sc2In by Materials Project

Dataset · Thu Jul 16 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1205598· OSTI ID:1205598

The Materials Project

Sc2In crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 6-coordinate geometry to eight Sc and six equivalent In atoms. There are two shorter (3.15 Å) and six longer (3.32 Å) Sc–Sc bond lengths. All Sc–In bond lengths are 3.32 Å. In the second Sc site, Sc is bonded to six equivalent Sc and five equivalent In atoms to form a mixture of distorted face and corner-sharing ScSc6In5 trigonal bipyramids. There are three shorter (2.92 Å) and two longer (3.15 Å) Sc–In bond lengths. In is bonded in a 11-coordinate geometry to eleven Sc 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: 1205598
• Report Number(s): mp-31348
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Sc2In
In-Sc