U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K3GeS3 by Materials Project
Abstract
K3GeS3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of K–S bond distances ranging from 3.27–3.43 Å. In the second K1+ site, K1+ is bonded to six S2- atoms to form a mixture of distorted corner and edge-sharing KS6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are a spread of K–S bond distances ranging from 3.22–3.57 Å. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of K–S bond distances ranging from 3.18–3.40 Å. Ge3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. All Ge–S bond lengths are 2.25 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 7-coordinate geometry to six K1+ and one Ge3+ atom. In the second S2- site, S2- is bonded in a 7-coordinate geometry to six K1+ and one Ge3+ atom.
- Publication Date:
- Other Number(s):
- mp-14434
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Ge-K-S; K3GeS3; crystal structure
- OSTI Identifier:
- 1190677
- DOI:
- https://doi.org/10.17188/1190677
Citation Formats
Materials Data on K3GeS3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1190677.
Materials Data on K3GeS3 by Materials Project. United States. doi:https://doi.org/10.17188/1190677
2020.
"Materials Data on K3GeS3 by Materials Project". United States. doi:https://doi.org/10.17188/1190677. https://www.osti.gov/servlets/purl/1190677. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1190677,
title = {Materials Data on K3GeS3 by Materials Project},
abstractNote = {K3GeS3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of K–S bond distances ranging from 3.27–3.43 Å. In the second K1+ site, K1+ is bonded to six S2- atoms to form a mixture of distorted corner and edge-sharing KS6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are a spread of K–S bond distances ranging from 3.22–3.57 Å. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of K–S bond distances ranging from 3.18–3.40 Å. Ge3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. All Ge–S bond lengths are 2.25 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 7-coordinate geometry to six K1+ and one Ge3+ atom. In the second S2- site, S2- is bonded in a 7-coordinate geometry to six K1+ and one Ge3+ atom.},
doi = {10.17188/1190677},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}