Materials Data on Ca3Ag8 by Materials Project
Ca3Ag8 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to twelve Ag atoms. There are a spread of Ca–Ag bond distances ranging from 3.15–3.56 Å. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 2-coordinate geometry to four equivalent Ca and eight Ag atoms. There are a spread of Ag–Ag bond distances ranging from 2.84–3.14 Å. In the second Ag site, Ag is bonded to six equivalent Ca and six equivalent Ag atoms to form a mixture of face and corner-sharing AgCa6Ag6 cuboctahedra.
- 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:
- 1280653
- Report Number(s):
- mp-646824
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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