U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K5As4 by Materials Project
Abstract
K5As4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are five inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six As+1.25- atoms. There are a spread of K–As bond distances ranging from 3.38–3.78 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five As+1.25- atoms. There are a spread of K–As bond distances ranging from 3.33–3.52 Å. In the third K1+ site, K1+ is bonded to six As+1.25- atoms to form edge-sharing KAs6 octahedra. There are a spread of K–As bond distances ranging from 3.29–3.50 Å. In the fourth K1+ site, K1+ is bonded in a 4-coordinate geometry to five As+1.25- atoms. There are a spread of K–As bond distances ranging from 3.34–3.53 Å. In the fifth K1+ site, K1+ is bonded in a 6-coordinate geometry to six As+1.25- atoms. There are a spread of K–As bond distances ranging from 3.39–3.78 Å. There are four inequivalent As+1.25- sites. In the first As+1.25- site, As+1.25- is bonded in a 9-coordinate geometry to seven K1+ and two As+1.25- atoms. There are one shorter (2.46 Å) and one longer (2.51 Å) As–As bond lengths. In themore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-684799
- 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; K5As4; As-K
- OSTI Identifier:
- 1284002
- DOI:
- https://doi.org/10.17188/1284002
Citation Formats
The Materials Project. Materials Data on K5As4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1284002.
The Materials Project. Materials Data on K5As4 by Materials Project. United States. doi:https://doi.org/10.17188/1284002
The Materials Project. 2020.
"Materials Data on K5As4 by Materials Project". United States. doi:https://doi.org/10.17188/1284002. https://www.osti.gov/servlets/purl/1284002. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1284002,
title = {Materials Data on K5As4 by Materials Project},
author = {The Materials Project},
abstractNote = {K5As4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are five inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six As+1.25- atoms. There are a spread of K–As bond distances ranging from 3.38–3.78 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five As+1.25- atoms. There are a spread of K–As bond distances ranging from 3.33–3.52 Å. In the third K1+ site, K1+ is bonded to six As+1.25- atoms to form edge-sharing KAs6 octahedra. There are a spread of K–As bond distances ranging from 3.29–3.50 Å. In the fourth K1+ site, K1+ is bonded in a 4-coordinate geometry to five As+1.25- atoms. There are a spread of K–As bond distances ranging from 3.34–3.53 Å. In the fifth K1+ site, K1+ is bonded in a 6-coordinate geometry to six As+1.25- atoms. There are a spread of K–As bond distances ranging from 3.39–3.78 Å. There are four inequivalent As+1.25- sites. In the first As+1.25- site, As+1.25- is bonded in a 9-coordinate geometry to seven K1+ and two As+1.25- atoms. There are one shorter (2.46 Å) and one longer (2.51 Å) As–As bond lengths. In the second As+1.25- site, As+1.25- is bonded in a 8-coordinate geometry to seven K1+ and one As+1.25- atom. The As–As bond length is 2.46 Å. In the third As+1.25- site, As+1.25- is bonded in a 8-coordinate geometry to seven K1+ and one As+1.25- atom. In the fourth As+1.25- site, As+1.25- is bonded in a 9-coordinate geometry to seven K1+ and two As+1.25- atoms.},
doi = {10.17188/1284002},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}