Materials Data on YRh5 by Materials Project

Dataset · Thu Jul 16 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1188070· OSTI ID:1188070

The Materials Project

YRh5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Y is bonded in a distorted hexagonal planar geometry to eighteen Rh atoms. There are six shorter (3.03 Å) and twelve longer (3.40 Å) Y–Rh bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 12-coordinate geometry to three equivalent Y and nine Rh atoms. There are six shorter (2.64 Å) and three longer (3.03 Å) Rh–Rh bond lengths. In the second Rh site, Rh is bonded to four equivalent Y and eight Rh atoms to form a mixture of edge, face, and corner-sharing RhY4Rh8 cuboctahedra. All Rh–Rh bond lengths are 2.63 Å.

• 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: 1188070
• Report Number(s): mp-11565
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
YRh5
Rh-Y