U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KP2AuS7 by Materials Project
Abstract
KAuP2S7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of K–S bond distances ranging from 3.47–3.52 Å. Au3+ is bonded in a square co-planar geometry to four S2- atoms. There are two shorter (2.38 Å) and two longer (2.39 Å) Au–S bond lengths. P5+ is bonded to four S2- atoms to form corner-sharing PS4 tetrahedra. There are a spread of P–S bond distances ranging from 1.96–2.16 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one P5+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to one K1+, one Au3+, and one P5+ atom. In the third S2- site, S2- is bonded in a distorted L-shaped geometry to one Au3+ and one P5+ atom. In the fourth S2- site, S2- is bonded in a water-like geometry to two equivalent P5+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-976587
- 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; KP2AuS7; Au-K-P-S
- OSTI Identifier:
- 1315296
- DOI:
- https://doi.org/10.17188/1315296
Citation Formats
The Materials Project. Materials Data on KP2AuS7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1315296.
The Materials Project. Materials Data on KP2AuS7 by Materials Project. United States. doi:https://doi.org/10.17188/1315296
The Materials Project. 2020.
"Materials Data on KP2AuS7 by Materials Project". United States. doi:https://doi.org/10.17188/1315296. https://www.osti.gov/servlets/purl/1315296. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1315296,
title = {Materials Data on KP2AuS7 by Materials Project},
author = {The Materials Project},
abstractNote = {KAuP2S7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of K–S bond distances ranging from 3.47–3.52 Å. Au3+ is bonded in a square co-planar geometry to four S2- atoms. There are two shorter (2.38 Å) and two longer (2.39 Å) Au–S bond lengths. P5+ is bonded to four S2- atoms to form corner-sharing PS4 tetrahedra. There are a spread of P–S bond distances ranging from 1.96–2.16 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one P5+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to one K1+, one Au3+, and one P5+ atom. In the third S2- site, S2- is bonded in a distorted L-shaped geometry to one Au3+ and one P5+ atom. In the fourth S2- site, S2- is bonded in a water-like geometry to two equivalent P5+ atoms.},
doi = {10.17188/1315296},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}