U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K3P2AuSe8 by Materials Project
Abstract
K3AuP2Se8 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of K–Se bond distances ranging from 3.51–3.99 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of K–Se bond distances ranging from 3.44–3.99 Å. In the third K1+ site, K1+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of K–Se bond distances ranging from 3.48–3.92 Å. Au3+ is bonded in a distorted linear geometry to two Se2- atoms. There are one shorter (2.45 Å) and one longer (2.46 Å) Au–Se bond lengths. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to four Se2- atoms. There are a spread of P–Se bond distances ranging from 2.18–2.32 Å. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to four Se2- atoms. There are a spread of P–Se bond distances ranging from 2.18–2.33 Å. There are eight inequivalent Se2- sites. In the first Se2-more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-866660
- 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; K3P2AuSe8; Au-K-P-Se
- OSTI Identifier:
- 1311651
- DOI:
- https://doi.org/10.17188/1311651
Citation Formats
The Materials Project. Materials Data on K3P2AuSe8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1311651.
The Materials Project. Materials Data on K3P2AuSe8 by Materials Project. United States. doi:https://doi.org/10.17188/1311651
The Materials Project. 2020.
"Materials Data on K3P2AuSe8 by Materials Project". United States. doi:https://doi.org/10.17188/1311651. https://www.osti.gov/servlets/purl/1311651. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1311651,
title = {Materials Data on K3P2AuSe8 by Materials Project},
author = {The Materials Project},
abstractNote = {K3AuP2Se8 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of K–Se bond distances ranging from 3.51–3.99 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of K–Se bond distances ranging from 3.44–3.99 Å. In the third K1+ site, K1+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of K–Se bond distances ranging from 3.48–3.92 Å. Au3+ is bonded in a distorted linear geometry to two Se2- atoms. There are one shorter (2.45 Å) and one longer (2.46 Å) Au–Se bond lengths. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to four Se2- atoms. There are a spread of P–Se bond distances ranging from 2.18–2.32 Å. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to four Se2- atoms. There are a spread of P–Se bond distances ranging from 2.18–2.33 Å. There are eight inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to two equivalent K1+ and one P5+ atom. In the second Se2- site, Se2- is bonded in a 1-coordinate geometry to two equivalent K1+ and one P5+ atom. In the third Se2- site, Se2- is bonded in a 1-coordinate geometry to four K1+ and one P5+ atom. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to three K1+, one Au3+, and one P5+ atom. In the fifth Se2- site, Se2- is bonded in a 1-coordinate geometry to four K1+ and one P5+ atom. In the sixth Se2- site, Se2- is bonded in a 1-coordinate geometry to three K1+, one Au3+, and one P5+ atom. In the seventh Se2- site, Se2- is bonded in a 1-coordinate geometry to four K1+ and one P5+ atom. In the eighth Se2- site, Se2- is bonded in a 1-coordinate geometry to four K1+ and one P5+ atom.},
doi = {10.17188/1311651},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}