Materials Data on ZnAu3 by Materials Project

Dataset · Thu Jul 23 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1281711· OSTI ID:1281711

The Materials Project

Au3Zn crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are three inequivalent Au sites. In the first Au site, Au is bonded in a distorted bent 120 degrees geometry to two equivalent Zn atoms. Both Au–Zn bond lengths are 2.74 Å. In the second Au site, Au is bonded in a 12-coordinate geometry to four equivalent Zn atoms. There are two shorter (2.79 Å) and two longer (2.80 Å) Au–Zn bond lengths. In the third Au site, Au is bonded in a distorted square co-planar geometry to four equivalent Zn atoms. All Au–Zn bond lengths are 2.87 Å. Zn is bonded in a distorted q6 geometry to ten Au 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: 1281711
• Report Number(s): mp-669566
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
ZnAu3
Au-Zn