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Materials Data on Eu3Zr by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1758906· OSTI ID:1758906
Eu3Zr is beta Cu3Ti-like structured and 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 Zr atoms to form EuEu8Zr4 cuboctahedra that share corners with twelve equivalent EuEu8Zr4 cuboctahedra, edges with eight equivalent ZrEu12 cuboctahedra, edges with sixteen EuEu8Zr4 cuboctahedra, faces with four equivalent ZrEu12 cuboctahedra, and faces with fourteen EuEu8Zr4 cuboctahedra. There are four shorter (3.64 Å) and four longer (3.67 Å) Eu–Eu bond lengths. All Eu–Zr bond lengths are 3.64 Å. In the second Eu site, Eu is bonded to eight equivalent Eu and four equivalent Zr atoms to form EuEu8Zr4 cuboctahedra that share corners with four equivalent EuEu8Zr4 cuboctahedra, corners with eight equivalent ZrEu12 cuboctahedra, edges with twenty-four EuEu8Zr4 cuboctahedra, faces with six equivalent ZrEu12 cuboctahedra, and faces with twelve EuEu8Zr4 cuboctahedra. All Eu–Zr bond lengths are 3.67 Å. Zr is bonded to twelve Eu atoms to form ZrEu12 cuboctahedra that share corners with four equivalent ZrEu12 cuboctahedra, corners with eight equivalent EuEu8Zr4 cuboctahedra, edges with eight equivalent ZrEu12 cuboctahedra, edges with sixteen equivalent EuEu8Zr4 cuboctahedra, faces with four equivalent ZrEu12 cuboctahedra, and faces with fourteen EuEu8Zr4 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:
1758906
Report Number(s):
mp-1184395
Country of Publication:
United States
Language:
English

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Related Subjects

36 MATERIALS SCIENCE
Eu-Zr
Eu3Zr
crystal structure