Materials Data on Eu3Hf by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1701355· OSTI ID:1701355

Eu3Hf crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded to eight Eu and four equivalent Hf atoms to form EuEu8Hf4 cuboctahedra that share corners with twelve equivalent EuEu8Hf4 cuboctahedra, edges with eight equivalent HfEu12 cuboctahedra, edges with sixteen EuEu8Hf4 cuboctahedra, faces with four equivalent HfEu12 cuboctahedra, and faces with fourteen EuEu8Hf4 cuboctahedra. There are four shorter (3.64 Å) and four longer (3.65 Å) Eu–Eu bond lengths. All Eu–Hf bond lengths are 3.64 Å. In the second Eu site, Eu is bonded to eight equivalent Eu and four equivalent Hf atoms to form EuEu8Hf4 cuboctahedra that share corners with four equivalent EuEu8Hf4 cuboctahedra, corners with eight equivalent HfEu12 cuboctahedra, edges with twenty-four EuEu8Hf4 cuboctahedra, faces with six equivalent HfEu12 cuboctahedra, and faces with twelve EuEu8Hf4 cuboctahedra. All Eu–Hf bond lengths are 3.65 Å. Hf is bonded to twelve Eu atoms to form HfEu12 cuboctahedra that share corners with four equivalent HfEu12 cuboctahedra, corners with eight equivalent EuEu8Hf4 cuboctahedra, edges with eight equivalent HfEu12 cuboctahedra, edges with sixteen equivalent EuEu8Hf4 cuboctahedra, faces with four equivalent HfEu12 cuboctahedra, and faces with fourteen EuEu8Hf4 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: 1701355
• Report Number(s): mp-1184326
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Eu-Hf
Eu3Hf
crystal structure