Materials Data on Y3In by Materials Project

Dataset · Mon May 04 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1732311· OSTI ID:1732311

Y3In is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y is bonded to eight equivalent Y and four equivalent In atoms to form distorted YY8In4 cuboctahedra that share corners with four equivalent InY12 cuboctahedra, corners with fourteen equivalent YY8In4 cuboctahedra, edges with six equivalent InY12 cuboctahedra, edges with twelve equivalent YY8In4 cuboctahedra, faces with four equivalent InY12 cuboctahedra, and faces with sixteen equivalent YY8In4 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.36–3.54 Å. There are two shorter (3.43 Å) and two longer (3.45 Å) Y–In bond lengths. In is bonded to twelve equivalent Y atoms to form InY12 cuboctahedra that share corners with six equivalent InY12 cuboctahedra, corners with twelve equivalent YY8In4 cuboctahedra, edges with eighteen equivalent YY8In4 cuboctahedra, faces with eight equivalent InY12 cuboctahedra, and faces with twelve equivalent YY8In4 cuboctahedra.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1732311
• Report Number(s): mp-1187884
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
In-Y
Y3In
crystal structure