U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr3(BS3)2 by Materials Project
Abstract
Sr3(BS3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a distorted body-centered cubic geometry to eight S2- atoms. There are a spread of Sr–S bond distances ranging from 3.04–3.21 Å. In the second Sr2+ site, Sr2+ is bonded in a distorted body-centered cubic geometry to eight S2- atoms. There are a spread of Sr–S bond distances ranging from 3.11–3.22 Å. B3+ is bonded in a trigonal planar geometry to three S2- atoms. There are a spread of B–S bond distances ranging from 1.82–1.84 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to four Sr2+ and one B3+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to four Sr2+ and one B3+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to four Sr2+ and one B3+ atom.
- Publication Date:
- Other Number(s):
- mp-30239
- 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; B-S-Sr; crystal structure; Sr3(BS3)2
- OSTI Identifier:
- 1204650
- DOI:
- https://doi.org/10.17188/1204650
Citation Formats
Materials Data on Sr3(BS3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204650.
Materials Data on Sr3(BS3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1204650
2020.
"Materials Data on Sr3(BS3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1204650. https://www.osti.gov/servlets/purl/1204650. Pub date:Thu Jul 23 20:00:00 EDT 2020
@article{osti_1204650,
title = {Materials Data on Sr3(BS3)2 by Materials Project},
abstractNote = {Sr3(BS3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a distorted body-centered cubic geometry to eight S2- atoms. There are a spread of Sr–S bond distances ranging from 3.04–3.21 Å. In the second Sr2+ site, Sr2+ is bonded in a distorted body-centered cubic geometry to eight S2- atoms. There are a spread of Sr–S bond distances ranging from 3.11–3.22 Å. B3+ is bonded in a trigonal planar geometry to three S2- atoms. There are a spread of B–S bond distances ranging from 1.82–1.84 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to four Sr2+ and one B3+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to four Sr2+ and one B3+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to four Sr2+ and one B3+ atom.},
doi = {10.17188/1204650},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}