Materials Data on HfBe5 by Materials Project

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

DOI:https://doi.org/10.17188/1195382· OSTI ID:1195382

The Materials Project

Be5Hf crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded in a 9-coordinate geometry to six equivalent Be and three equivalent Hf atoms. All Be–Be bond lengths are 2.16 Å. All Be–Hf bond lengths are 2.61 Å. In the second Be site, Be is bonded to eight Be and four equivalent Hf atoms to form a mixture of corner, edge, and face-sharing BeHf4Be8 cuboctahedra. All Be–Be bond lengths are 2.26 Å. All Be–Hf bond lengths are 2.84 Å. Hf is bonded in a 6-coordinate geometry to eighteen Be 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: 1195382
• Report Number(s): mp-2025
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
HfBe5
Be-Hf