Materials Data on KAu2 by Materials Project
Abstract
KAu2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K is bonded in a 12-coordinate geometry to twelve Au atoms. There are a spread of K–Au bond distances ranging from 3.38–3.52 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded to six equivalent K and six equivalent Au atoms to form a mixture of distorted corner, edge, and face-sharing AuK6Au6 cuboctahedra. All Au–Au bond lengths are 3.00 Å. In the second Au site, Au is bonded to six equivalent K and six Au atoms to form a mixture of corner, edge, and face-sharing AuK6Au6 cuboctahedra. There are two shorter (2.88 Å) and two longer (2.89 Å) Au–Au bond lengths.
- Authors:
- Publication Date:
- Other Number(s):
- mp-30401
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; KAu2; Au-K
- OSTI Identifier:
- 1204809
- DOI:
- https://doi.org/10.17188/1204809
Citation Formats
The Materials Project. Materials Data on KAu2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204809.
The Materials Project. Materials Data on KAu2 by Materials Project. United States. doi:https://doi.org/10.17188/1204809
The Materials Project. 2020.
"Materials Data on KAu2 by Materials Project". United States. doi:https://doi.org/10.17188/1204809. https://www.osti.gov/servlets/purl/1204809. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1204809,
title = {Materials Data on KAu2 by Materials Project},
author = {The Materials Project},
abstractNote = {KAu2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K is bonded in a 12-coordinate geometry to twelve Au atoms. There are a spread of K–Au bond distances ranging from 3.38–3.52 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded to six equivalent K and six equivalent Au atoms to form a mixture of distorted corner, edge, and face-sharing AuK6Au6 cuboctahedra. All Au–Au bond lengths are 3.00 Å. In the second Au site, Au is bonded to six equivalent K and six Au atoms to form a mixture of corner, edge, and face-sharing AuK6Au6 cuboctahedra. There are two shorter (2.88 Å) and two longer (2.89 Å) Au–Au bond lengths.},
doi = {10.17188/1204809},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}
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