Materials Data on Ca5Ag3 by Materials Project
Ag3Ca5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded to five Ag atoms to form a mixture of distorted edge, corner, and face-sharing CaAg5 trigonal bipyramids. There are a spread of Ca–Ag bond distances ranging from 3.19–3.37 Å. In the second Ca site, Ca is bonded in a distorted square co-planar geometry to six Ag atoms. There are four shorter (3.16 Å) and two longer (3.74 Å) Ca–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 10-coordinate geometry to ten Ca atoms. In the second Ag site, Ag is bonded in a 9-coordinate geometry to eight Ca and one Ag atom. The Ag–Ag bond length is 2.88 Å.
- 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:
- 1205478
- Report Number(s):
- mp-31172
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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