Materials Data on YIn5Rh by Materials Project

Dataset · Mon Jul 20 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1655830· OSTI ID:1655830

YRhIn5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Y is bonded to twelve In atoms to form YIn12 cuboctahedra that share corners with four equivalent YIn12 cuboctahedra, faces with four equivalent YIn12 cuboctahedra, and faces with four equivalent InY4In8 cuboctahedra. There are eight shorter (3.25 Å) and four longer (3.31 Å) Y–In bond lengths. Rh is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Rh–In bond lengths are 2.78 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent Y, two equivalent Rh, and two equivalent In atoms. Both In–In bond lengths are 3.25 Å. In the second In site, In is bonded to four equivalent Y and eight equivalent In atoms to form InY4In8 cuboctahedra that share corners with four equivalent InY4In8 cuboctahedra, faces with four equivalent YIn12 cuboctahedra, and faces with four equivalent InY4In8 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: 1655830
• Report Number(s): mp-1206242
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
In-Rh-Y
YIn5Rh
crystal structure