U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KEuAsS3 by Materials Project
Abstract
KEuAsS3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.27–3.80 Å. Eu2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Eu–S bond distances ranging from 2.94–3.32 Å. As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.25–2.32 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to four equivalent K1+, one Eu2+, and one As3+ atom. In the second S2- site, S2- is bonded in a 6-coordinate geometry to one K1+, four equivalent Eu2+, and one As3+ atom. In the third S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent K1+, two equivalent Eu2+, and one As3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-646548
- 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; KEuAsS3; As-Eu-K-S
- OSTI Identifier:
- 1280635
- DOI:
- https://doi.org/10.17188/1280635
Citation Formats
The Materials Project. Materials Data on KEuAsS3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1280635.
The Materials Project. Materials Data on KEuAsS3 by Materials Project. United States. doi:https://doi.org/10.17188/1280635
The Materials Project. 2020.
"Materials Data on KEuAsS3 by Materials Project". United States. doi:https://doi.org/10.17188/1280635. https://www.osti.gov/servlets/purl/1280635. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1280635,
title = {Materials Data on KEuAsS3 by Materials Project},
author = {The Materials Project},
abstractNote = {KEuAsS3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.27–3.80 Å. Eu2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Eu–S bond distances ranging from 2.94–3.32 Å. As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.25–2.32 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to four equivalent K1+, one Eu2+, and one As3+ atom. In the second S2- site, S2- is bonded in a 6-coordinate geometry to one K1+, four equivalent Eu2+, and one As3+ atom. In the third S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent K1+, two equivalent Eu2+, and one As3+ atom.},
doi = {10.17188/1280635},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}