Materials Data on CaIn2Au by Materials Project

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

DOI:https://doi.org/10.17188/1198816· OSTI ID:1198816

The Materials Project

CaAuIn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ca is bonded in a 1-coordinate geometry to three equivalent Au and ten equivalent In atoms. There are one shorter (3.14 Å) and two longer (3.29 Å) Ca–Au bond lengths. There are a spread of Ca–In bond distances ranging from 3.34–3.60 Å. Au is bonded in a 9-coordinate geometry to three equivalent Ca and six equivalent In atoms. There are two shorter (2.87 Å) and four longer (2.90 Å) Au–In bond lengths. In is bonded in a 3-coordinate geometry to five equivalent Ca and three 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: 1198816
• Report Number(s): mp-22602
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
CaIn2Au
Au-Ca-In