Materials Data on Fe2Sn by Materials Project

Dataset · Mon Aug 03 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1262847· OSTI ID:1262847

The Materials Project

Fe2Sn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 8-coordinate geometry to eight Fe and six equivalent Sn atoms. There are two shorter (2.63 Å) and six longer (2.87 Å) Fe–Fe bond lengths. All Fe–Sn bond lengths are 2.87 Å. In the second Fe site, Fe is bonded to six equivalent Fe and five equivalent Sn atoms to form a mixture of distorted corner and face-sharing FeFe6Sn5 trigonal bipyramids. There are three shorter (2.55 Å) and two longer (2.63 Å) Fe–Sn bond lengths. Sn is bonded in a 5-coordinate geometry to eleven Fe 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: 1262847
• Report Number(s): mp-510164
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Fe2Sn
Fe-Sn