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Materials Data on Sm3Eu by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1690559· OSTI ID:1690559
EuSm3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Eu is bonded to twelve Sm atoms to form EuSm12 cuboctahedra that share corners with six equivalent EuSm12 cuboctahedra, corners with twelve SmSm8Eu4 cuboctahedra, edges with eighteen SmSm8Eu4 cuboctahedra, faces with eight equivalent EuSm12 cuboctahedra, and faces with twelve SmSm8Eu4 cuboctahedra. There are six shorter (3.69 Å) and six longer (3.70 Å) Eu–Sm bond lengths. There are two inequivalent Sm sites. In the first Sm site, Sm is bonded to four equivalent Eu and eight Sm atoms to form SmSm8Eu4 cuboctahedra that share corners with four equivalent EuSm12 cuboctahedra, corners with fourteen SmSm8Eu4 cuboctahedra, edges with six equivalent EuSm12 cuboctahedra, edges with twelve SmSm8Eu4 cuboctahedra, faces with four equivalent EuSm12 cuboctahedra, and faces with sixteen SmSm8Eu4 cuboctahedra. There are a spread of Sm–Sm bond distances ranging from 3.64–3.77 Å. In the second Sm site, Sm is bonded to four equivalent Eu and eight equivalent Sm atoms to form SmSm8Eu4 cuboctahedra that share corners with four equivalent EuSm12 cuboctahedra, corners with fourteen SmSm8Eu4 cuboctahedra, edges with six equivalent EuSm12 cuboctahedra, edges with twelve equivalent SmSm8Eu4 cuboctahedra, faces with four equivalent EuSm12 cuboctahedra, and faces with sixteen SmSm8Eu4 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:
1690559
Report Number(s):
mp-1186714
Country of Publication:
United States
Language:
English

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Related Subjects

36 MATERIALS SCIENCE
Eu-Sm
Sm3Eu
crystal structure