U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SiAg2 by Materials Project
Abstract
Ag2Si is Hexagonal Laves structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a 6-coordinate geometry to six Ag2+ atoms. There are four shorter (2.74 Å) and two longer (2.78 Å) Ag–Ag bond lengths. In the second Ag2+ site, Ag2+ is bonded in a distorted q6 geometry to six Ag2+ and four equivalent Si4- atoms. There are two shorter (2.70 Å) and two longer (2.80 Å) Ag–Ag bond lengths. All Ag–Si bond lengths are 3.06 Å. In the third Ag2+ site, Ag2+ is bonded in a 10-coordinate geometry to six Ag2+ and four equivalent Si4- atoms. There are one shorter (2.73 Å) and one longer (2.87 Å) Ag–Ag bond lengths. There are two shorter (3.00 Å) and two longer (3.03 Å) Ag–Si bond lengths. Si4- is bonded in a 1-coordinate geometry to six Ag2+ and one Si4- atom. The Si–Si bond length is 2.47 Å.
- Publication Date:
- Other Number(s):
- mp-1095654
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Ag-Si; SiAg2; crystal structure
- OSTI Identifier:
- 1652591
- DOI:
- https://doi.org/10.17188/1652591
Citation Formats
Materials Data on SiAg2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1652591.
Materials Data on SiAg2 by Materials Project. United States. doi:https://doi.org/10.17188/1652591
2020.
"Materials Data on SiAg2 by Materials Project". United States. doi:https://doi.org/10.17188/1652591. https://www.osti.gov/servlets/purl/1652591. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1652591,
title = {Materials Data on SiAg2 by Materials Project},
abstractNote = {Ag2Si is Hexagonal Laves structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a 6-coordinate geometry to six Ag2+ atoms. There are four shorter (2.74 Å) and two longer (2.78 Å) Ag–Ag bond lengths. In the second Ag2+ site, Ag2+ is bonded in a distorted q6 geometry to six Ag2+ and four equivalent Si4- atoms. There are two shorter (2.70 Å) and two longer (2.80 Å) Ag–Ag bond lengths. All Ag–Si bond lengths are 3.06 Å. In the third Ag2+ site, Ag2+ is bonded in a 10-coordinate geometry to six Ag2+ and four equivalent Si4- atoms. There are one shorter (2.73 Å) and one longer (2.87 Å) Ag–Ag bond lengths. There are two shorter (3.00 Å) and two longer (3.03 Å) Ag–Si bond lengths. Si4- is bonded in a 1-coordinate geometry to six Ag2+ and one Si4- atom. The Si–Si bond length is 2.47 Å.},
doi = {10.17188/1652591},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}