Materials Data on HfNi5 by Materials Project

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

DOI:https://doi.org/10.17188/1275135· OSTI ID:1275135

The Materials Project

HfNi5 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to sixteen Ni atoms. There are twelve shorter (2.76 Å) and four longer (2.88 Å) Hf–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to three equivalent Hf and nine Ni atoms to form a mixture of distorted face, edge, and corner-sharing NiHf3Ni9 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.34–2.76 Å. In the second Ni site, Ni is bonded in a 4-coordinate geometry to four equivalent Hf and twelve equivalent Ni 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: 1275135
• Report Number(s): mp-569516
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
HfNi5
Hf-Ni