Materials Data on YRu2 by Materials Project

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

DOI:https://doi.org/10.17188/1272553· OSTI ID:1272553

The Materials Project

YRu2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to twelve Ru atoms. There are a spread of Y–Ru bond distances ranging from 3.10–3.21 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to six equivalent Y and six equivalent Ru atoms to form a mixture of corner, edge, and face-sharing RuY6Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.73 Å. In the second Ru site, Ru is bonded to six equivalent Y and six Ru atoms to form a mixture of corner, edge, and face-sharing RuY6Ru6 cuboctahedra. There are two shorter (2.58 Å) and two longer (2.69 Å) Ru–Ru bond lengths.

• 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: 1272553
• Report Number(s): mp-568186
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
YRu2
Ru-Y