Materials Data on KAuS5 by Materials Project
Abstract
KAuS5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S+0.40- atoms. There are four shorter (3.52 Å) and four longer (3.54 Å) K–S bond lengths. In the second K1+ site, K1+ is bonded in a 10-coordinate geometry to ten S+0.40- atoms. There are a spread of K–S bond distances ranging from 3.30–3.77 Å. Au1+ is bonded in a distorted linear geometry to two equivalent S+0.40- atoms. Both Au–S bond lengths are 2.33 Å. There are three inequivalent S+0.40- sites. In the first S+0.40- site, S+0.40- is bonded in a 2-coordinate geometry to one K1+ and two equivalent S+0.40- atoms. Both S–S bond lengths are 2.08 Å. In the second S+0.40- site, S+0.40- is bonded in a 4-coordinate geometry to two K1+ and two S+0.40- atoms. The S–S bond length is 2.08 Å. In the third S+0.40- site, S+0.40- is bonded to two K1+, one Au1+, and one S+0.40- atom to form distorted corner-sharing SK2AuS tetrahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-3592
- 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; KAuS5; Au-K-S
- OSTI Identifier:
- 1207101
- DOI:
- https://doi.org/10.17188/1207101
Citation Formats
The Materials Project. Materials Data on KAuS5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207101.
The Materials Project. Materials Data on KAuS5 by Materials Project. United States. doi:https://doi.org/10.17188/1207101
The Materials Project. 2020.
"Materials Data on KAuS5 by Materials Project". United States. doi:https://doi.org/10.17188/1207101. https://www.osti.gov/servlets/purl/1207101. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1207101,
title = {Materials Data on KAuS5 by Materials Project},
author = {The Materials Project},
abstractNote = {KAuS5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S+0.40- atoms. There are four shorter (3.52 Å) and four longer (3.54 Å) K–S bond lengths. In the second K1+ site, K1+ is bonded in a 10-coordinate geometry to ten S+0.40- atoms. There are a spread of K–S bond distances ranging from 3.30–3.77 Å. Au1+ is bonded in a distorted linear geometry to two equivalent S+0.40- atoms. Both Au–S bond lengths are 2.33 Å. There are three inequivalent S+0.40- sites. In the first S+0.40- site, S+0.40- is bonded in a 2-coordinate geometry to one K1+ and two equivalent S+0.40- atoms. Both S–S bond lengths are 2.08 Å. In the second S+0.40- site, S+0.40- is bonded in a 4-coordinate geometry to two K1+ and two S+0.40- atoms. The S–S bond length is 2.08 Å. In the third S+0.40- site, S+0.40- is bonded to two K1+, one Au1+, and one S+0.40- atom to form distorted corner-sharing SK2AuS tetrahedra.},
doi = {10.17188/1207101},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Jul 20 00:00:00 EDT 2020},
month = {Mon Jul 20 00:00:00 EDT 2020}
}