U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KS3 by Materials Project
Abstract
S2KS crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine S+0.33- atoms. There are a spread of K–S bond distances ranging from 3.22–3.81 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S+0.33- atoms. There are a spread of K–S bond distances ranging from 3.24–3.80 Å. There are six inequivalent S+0.33- sites. In the first S+0.33- site, S+0.33- is bonded to four K1+ and one S+0.33- atom to form distorted SK4S square pyramids that share corners with two equivalent SK4S square pyramids, corners with four equivalent SK2S2 tetrahedra, corners with two equivalent SK4S trigonal bipyramids, edges with two equivalent SK4S square pyramids, and edges with two equivalent SK4S trigonal bipyramids. The S–S bond length is 2.06 Å. In the second S+0.33- site, S+0.33- is bonded in a 5-coordinate geometry to three K1+ and two S+0.33- atoms. The S–S bond length is 2.05 Å. In the third S+0.33- site, S+0.33- is bonded in a 4-coordinate geometry to two K1+ and two S+0.33- atoms. The S–S bond length is 2.19 Å. In the fourthmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1196514
- 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; KS3; K-S
- OSTI Identifier:
- 1748919
- DOI:
- https://doi.org/10.17188/1748919
Citation Formats
The Materials Project. Materials Data on KS3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1748919.
The Materials Project. Materials Data on KS3 by Materials Project. United States. doi:https://doi.org/10.17188/1748919
The Materials Project. 2020.
"Materials Data on KS3 by Materials Project". United States. doi:https://doi.org/10.17188/1748919. https://www.osti.gov/servlets/purl/1748919. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1748919,
title = {Materials Data on KS3 by Materials Project},
author = {The Materials Project},
abstractNote = {S2KS crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine S+0.33- atoms. There are a spread of K–S bond distances ranging from 3.22–3.81 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S+0.33- atoms. There are a spread of K–S bond distances ranging from 3.24–3.80 Å. There are six inequivalent S+0.33- sites. In the first S+0.33- site, S+0.33- is bonded to four K1+ and one S+0.33- atom to form distorted SK4S square pyramids that share corners with two equivalent SK4S square pyramids, corners with four equivalent SK2S2 tetrahedra, corners with two equivalent SK4S trigonal bipyramids, edges with two equivalent SK4S square pyramids, and edges with two equivalent SK4S trigonal bipyramids. The S–S bond length is 2.06 Å. In the second S+0.33- site, S+0.33- is bonded in a 5-coordinate geometry to three K1+ and two S+0.33- atoms. The S–S bond length is 2.05 Å. In the third S+0.33- site, S+0.33- is bonded in a 4-coordinate geometry to two K1+ and two S+0.33- atoms. The S–S bond length is 2.19 Å. In the fourth S+0.33- site, S+0.33- is bonded in a 4-coordinate geometry to two K1+ and two S+0.33- atoms. The S–S bond length is 2.04 Å. In the fifth S+0.33- site, S+0.33- is bonded to two K1+ and two S+0.33- atoms to form distorted corner-sharing SK2S2 tetrahedra. The S–S bond length is 2.06 Å. In the sixth S+0.33- site, S+0.33- is bonded to four K1+ and one S+0.33- atom to form distorted SK4S trigonal bipyramids that share corners with two equivalent SK4S square pyramids, corners with four equivalent SK2S2 tetrahedra, corners with two equivalent SK4S trigonal bipyramids, edges with two equivalent SK4S square pyramids, and edges with two equivalent SK4S trigonal bipyramids.},
doi = {10.17188/1748919},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}