Materials Data on CaGaAu by Materials Project

Dataset · Tue Jul 14 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1188394· OSTI ID:1188394

The Materials Project

CaAuGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Ga atoms. There are a spread of Ca–Au bond distances ranging from 3.11–3.44 Å. There are a spread of Ca–Ga bond distances ranging from 3.18–3.39 Å. Au is bonded in a 10-coordinate geometry to six equivalent Ca and four equivalent Ga atoms. There are a spread of Au–Ga bond distances ranging from 2.67–2.85 Å. Ga is bonded in a 4-coordinate geometry to six equivalent Ca and four equivalent 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: 1188394
• Report Number(s): mp-11811
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
CaGaAu
Au-Ca-Ga