U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ag3Hg by Materials Project
Abstract
Ag3Hg is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Ag sites. In the first Ag site, Ag is bonded to eight Ag and four equivalent Hg atoms to form AgAg8Hg4 cuboctahedra that share corners with four equivalent HgAg12 cuboctahedra, corners with fourteen AgAg8Hg4 cuboctahedra, edges with six equivalent HgAg12 cuboctahedra, edges with twelve AgAg8Hg4 cuboctahedra, faces with four equivalent HgAg12 cuboctahedra, and faces with sixteen AgAg8Hg4 cuboctahedra. There are six shorter (2.97 Å) and two longer (3.05 Å) Ag–Ag bond lengths. There are two shorter (2.99 Å) and two longer (3.01 Å) Ag–Hg bond lengths. In the second Ag site, Ag is bonded to eight Ag and four equivalent Hg atoms to form AgAg8Hg4 cuboctahedra that share corners with four equivalent HgAg12 cuboctahedra, corners with fourteen AgAg8Hg4 cuboctahedra, edges with six equivalent HgAg12 cuboctahedra, edges with twelve AgAg8Hg4 cuboctahedra, faces with four equivalent HgAg12 cuboctahedra, and faces with sixteen AgAg8Hg4 cuboctahedra. Both Ag–Ag bond lengths are 2.97 Å. There are two shorter (2.99 Å) and two longer (3.01 Å) Ag–Hg bond lengths. In the third Ag site, Ag is bonded to eight Ag and four equivalent Hg atomsmore »
- Publication Date:
- Other Number(s):
- mp-1183250
- 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-Hg; Ag3Hg; crystal structure
- OSTI Identifier:
- 1738539
- DOI:
- https://doi.org/10.17188/1738539
Citation Formats
Materials Data on Ag3Hg by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1738539.
Materials Data on Ag3Hg by Materials Project. United States. doi:https://doi.org/10.17188/1738539
2020.
"Materials Data on Ag3Hg by Materials Project". United States. doi:https://doi.org/10.17188/1738539. https://www.osti.gov/servlets/purl/1738539. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1738539,
title = {Materials Data on Ag3Hg by Materials Project},
abstractNote = {Ag3Hg is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Ag sites. In the first Ag site, Ag is bonded to eight Ag and four equivalent Hg atoms to form AgAg8Hg4 cuboctahedra that share corners with four equivalent HgAg12 cuboctahedra, corners with fourteen AgAg8Hg4 cuboctahedra, edges with six equivalent HgAg12 cuboctahedra, edges with twelve AgAg8Hg4 cuboctahedra, faces with four equivalent HgAg12 cuboctahedra, and faces with sixteen AgAg8Hg4 cuboctahedra. There are six shorter (2.97 Å) and two longer (3.05 Å) Ag–Ag bond lengths. There are two shorter (2.99 Å) and two longer (3.01 Å) Ag–Hg bond lengths. In the second Ag site, Ag is bonded to eight Ag and four equivalent Hg atoms to form AgAg8Hg4 cuboctahedra that share corners with four equivalent HgAg12 cuboctahedra, corners with fourteen AgAg8Hg4 cuboctahedra, edges with six equivalent HgAg12 cuboctahedra, edges with twelve AgAg8Hg4 cuboctahedra, faces with four equivalent HgAg12 cuboctahedra, and faces with sixteen AgAg8Hg4 cuboctahedra. Both Ag–Ag bond lengths are 2.97 Å. There are two shorter (2.99 Å) and two longer (3.01 Å) Ag–Hg bond lengths. In the third Ag site, Ag is bonded to eight Ag and four equivalent Hg atoms to form AgAg8Hg4 cuboctahedra that share corners with four equivalent HgAg12 cuboctahedra, corners with fourteen AgAg8Hg4 cuboctahedra, edges with six equivalent HgAg12 cuboctahedra, edges with twelve AgAg8Hg4 cuboctahedra, faces with four equivalent HgAg12 cuboctahedra, and faces with sixteen AgAg8Hg4 cuboctahedra. There are four shorter (2.97 Å) and two longer (3.05 Å) Ag–Ag bond lengths. There are two shorter (2.99 Å) and two longer (3.01 Å) Ag–Hg bond lengths. Hg is bonded to twelve Ag atoms to form HgAg12 cuboctahedra that share corners with six equivalent HgAg12 cuboctahedra, corners with twelve AgAg8Hg4 cuboctahedra, edges with eighteen AgAg8Hg4 cuboctahedra, faces with eight equivalent HgAg12 cuboctahedra, and faces with twelve AgAg8Hg4 cuboctahedra.},
doi = {10.17188/1738539},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}