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Materials Data on SmCdCu by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1715271· OSTI ID:1715271
SmCuCd crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sm is bonded in a 11-coordinate geometry to five Cu and six equivalent Cd atoms. There are four shorter (3.04 Å) and one longer (3.16 Å) Sm–Cu bond lengths. There are two shorter (3.26 Å) and four longer (3.39 Å) Sm–Cd bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to three equivalent Sm and six equivalent Cd atoms. All Cu–Cd bond lengths are 2.75 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Cd atoms. All Cu–Cd bond lengths are 2.93 Å. Cd is bonded in a 10-coordinate geometry to six equivalent Sm and four Cu atoms.
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:
1715271
Report Number(s):
mp-1079797
Country of Publication:
United States
Language:
English

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