Materials Data on Th3Au4 by Materials Project

Dataset · Wed Jul 15 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1310679· OSTI ID:1310679

The Materials Project

Th3Au4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Th is bonded in a 9-coordinate geometry to nine Au atoms. There are a spread of Th–Au bond distances ranging from 3.03–3.42 Å. There are three inequivalent Au sites. In the first Au site, Au is bonded to six equivalent Th atoms to form distorted face-sharing AuTh6 octahedra. In the second Au site, Au is bonded to six equivalent Th atoms to form distorted face-sharing AuTh6 octahedra. In the third Au site, Au is bonded in a 7-coordinate geometry to seven equivalent Th and three equivalent Au atoms. There are one shorter (3.04 Å) and two longer (3.18 Å) Au–Au bond lengths.

• 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: 1310679
• Report Number(s): mp-865377
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Th3Au4
Au-Th