Materials Data on U3TiSn5 by Materials Project

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

DOI:https://doi.org/10.17188/1690491· OSTI ID:1690491

The Materials Project

U3TiSn5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. U is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of U–Sn bond distances ranging from 3.15–3.25 Å. Ti is bonded to six equivalent Sn atoms to form distorted face-sharing TiSn6 octahedra. All Ti–Sn bond lengths are 2.84 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to five equivalent U and two equivalent Ti atoms to form a mixture of distorted face, edge, and corner-sharing SnU5Ti2 pentagonal bipyramids. In the second Sn site, Sn is bonded in a 8-coordinate geometry to six equivalent U and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.03 Å.

• 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: 1690491
• Report Number(s): mp-1207930
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
U3TiSn5
Sn-Ti-U