Materials Data on Si3Ag by Materials Project
AgSi3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ag is bonded to twelve Si atoms to form AgSi12 cuboctahedra that share corners with four equivalent AgSi12 cuboctahedra, corners with eight equivalent SiSi8Ag4 cuboctahedra, edges with eight equivalent AgSi12 cuboctahedra, faces with four equivalent AgSi12 cuboctahedra, and faces with six equivalent SiSi8Ag4 cuboctahedra. There are eight shorter (2.78 Å) and four longer (2.94 Å) Ag–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 12-coordinate geometry to four equivalent Ag and four equivalent Si atoms. All Si–Si bond lengths are 2.78 Å. In the second Si site, Si is bonded to four equivalent Ag and eight equivalent Si atoms to form SiSi8Ag4 cuboctahedra that share corners with four equivalent SiSi8Ag4 cuboctahedra, corners with eight equivalent AgSi12 cuboctahedra, edges with eight equivalent SiSi8Ag4 cuboctahedra, faces with four equivalent SiSi8Ag4 cuboctahedra, and faces with six equivalent AgSi12 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:
- 1315940
- Report Number(s):
- mp-978524
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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