U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K3Gd(AsS4)2 by Materials Project
Abstract
K3Gd(AsS4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted body-centered cubic geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.22–3.60 Å. In the second K1+ site, K1+ is bonded in a distorted square co-planar geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.16–3.84 Å. In the third K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.27–3.50 Å. Gd3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Gd–S bond distances ranging from 2.81–3.10 Å. As5+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.16 Å) and three longer (2.20 Å) As–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to two K1+, two equivalent Gd3+, and one As5+ atom. In the second S2- site, S2- is bonded in a 2-coordinate geometry to three K1+, one Gd3+, andmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1193182
- 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; K3Gd(AsS4)2; As-Gd-K-S
- OSTI Identifier:
- 1674431
- DOI:
- https://doi.org/10.17188/1674431
Citation Formats
The Materials Project. Materials Data on K3Gd(AsS4)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1674431.
The Materials Project. Materials Data on K3Gd(AsS4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1674431
The Materials Project. 2019.
"Materials Data on K3Gd(AsS4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1674431. https://www.osti.gov/servlets/purl/1674431. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1674431,
title = {Materials Data on K3Gd(AsS4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {K3Gd(AsS4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted body-centered cubic geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.22–3.60 Å. In the second K1+ site, K1+ is bonded in a distorted square co-planar geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.16–3.84 Å. In the third K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.27–3.50 Å. Gd3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Gd–S bond distances ranging from 2.81–3.10 Å. As5+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.16 Å) and three longer (2.20 Å) As–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to two K1+, two equivalent Gd3+, and one As5+ atom. In the second S2- site, S2- is bonded in a 2-coordinate geometry to three K1+, one Gd3+, and one As5+ atom. In the third S2- site, S2- is bonded to four K1+ and one As5+ atom to form a mixture of distorted corner and edge-sharing SK4As square pyramids. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to three K1+, one Gd3+, and one As5+ atom.},
doi = {10.17188/1674431},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jan 11 00:00:00 EST 2019},
month = {Fri Jan 11 00:00:00 EST 2019}
}