Materials Data on KBS2 by Materials Project
Abstract
KBS2 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. K1+ is bonded to seven S2- atoms to form a mixture of distorted corner, edge, and face-sharing KS7 pentagonal bipyramids. There are a spread of K–S bond distances ranging from 3.27–3.56 Å. B3+ is bonded in a trigonal planar geometry to three S2- atoms. There is one shorter (1.78 Å) and two longer (1.84 Å) B–S bond length. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two equivalent B3+ atoms. In the second S2- site, S2- is bonded in a distorted single-bond geometry to five equivalent K1+ and one B3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-15012
- 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; KBS2; B-K-S
- OSTI Identifier:
- 1190994
- DOI:
- https://doi.org/10.17188/1190994
Citation Formats
The Materials Project. Materials Data on KBS2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1190994.
The Materials Project. Materials Data on KBS2 by Materials Project. United States. doi:https://doi.org/10.17188/1190994
The Materials Project. 2020.
"Materials Data on KBS2 by Materials Project". United States. doi:https://doi.org/10.17188/1190994. https://www.osti.gov/servlets/purl/1190994. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1190994,
title = {Materials Data on KBS2 by Materials Project},
author = {The Materials Project},
abstractNote = {KBS2 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. K1+ is bonded to seven S2- atoms to form a mixture of distorted corner, edge, and face-sharing KS7 pentagonal bipyramids. There are a spread of K–S bond distances ranging from 3.27–3.56 Å. B3+ is bonded in a trigonal planar geometry to three S2- atoms. There is one shorter (1.78 Å) and two longer (1.84 Å) B–S bond length. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two equivalent B3+ atoms. In the second S2- site, S2- is bonded in a distorted single-bond geometry to five equivalent K1+ and one B3+ atom.},
doi = {10.17188/1190994},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}
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