Materials Data on CdCu2 by Materials Project
Cu2Cd is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Cu sites. In the first Cu site, Cu is bonded to six equivalent Cu and six equivalent Cd atoms to form a mixture of edge, face, and corner-sharing CuCd6Cu6 cuboctahedra. All Cu–Cu bond lengths are 2.49 Å. All Cu–Cd bond lengths are 2.97 Å. In the second Cu site, Cu is bonded to six Cu and six equivalent Cd atoms to form a mixture of edge, face, and corner-sharing CuCd6Cu6 cuboctahedra. There are two shorter (2.50 Å) and two longer (2.57 Å) Cu–Cu bond lengths. There are two shorter (2.88 Å) and four longer (2.95 Å) Cu–Cd bond lengths. Cd is bonded in a 12-coordinate geometry to twelve Cu and four equivalent Cd atoms. There are one shorter (3.02 Å) and three longer (3.09 Å) Cd–Cd bond lengths.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1192158
- Report Number(s):
- mp-16775
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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