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Materials Data on YbCd2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1672690· OSTI ID:1672690
YbCd2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to twelve Cd atoms. There are a spread of Yb–Cd bond distances ranging from 3.48–3.53 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to six equivalent Yb and six equivalent Cd atoms to form a mixture of edge, face, and corner-sharing CdYb6Cd6 cuboctahedra. All Cd–Cd bond lengths are 3.05 Å. In the second Cd site, Cd is bonded to six equivalent Yb and six Cd atoms to form a mixture of edge, face, and corner-sharing CdYb6Cd6 cuboctahedra. There are two shorter (2.91 Å) and two longer (3.04 Å) Cd–Cd bond lengths.
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:
1672690
Report Number(s):
mp-1102731
Country of Publication:
United States
Language:
English

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