Materials Data on SiAg3 by Materials Project
Ag3Si crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Ag+1.33+ sites. In the first Ag+1.33+ site, Ag+1.33+ is bonded to twelve Ag+1.33+ atoms to form AgAg12 cuboctahedra that share corners with six equivalent AgAg12 cuboctahedra, corners with twelve equivalent SiAg6 cuboctahedra, edges with eighteen AgAg12 cuboctahedra, faces with two equivalent SiAg6 cuboctahedra, and faces with eighteen AgAg12 cuboctahedra. There are six shorter (2.94 Å) and six longer (2.96 Å) Ag–Ag bond lengths. In the second Ag+1.33+ site, Ag+1.33+ is bonded to nine Ag+1.33+ and three equivalent Si4- atoms to form AgSi3Ag9 cuboctahedra that share corners with six equivalent SiAg6 cuboctahedra, corners with eighteen equivalent AgSi3Ag9 cuboctahedra, edges with six equivalent SiAg6 cuboctahedra, edges with twelve AgAg12 cuboctahedra, and faces with fourteen AgAg12 cuboctahedra. All Ag–Ag bond lengths are 2.94 Å. All Ag–Si bond lengths are 2.77 Å. Si4- is bonded to six equivalent Ag+1.33+ atoms to form distorted SiAg6 cuboctahedra that share corners with twenty-four AgAg12 cuboctahedra, edges with six equivalent SiAg6 cuboctahedra, edges with twelve equivalent AgSi3Ag9 cuboctahedra, and faces with two equivalent AgAg12 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:
- 1697913
- Report Number(s):
- mp-1219243
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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