U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on B2S2O9 by Materials Project
Abstract
B2S2O9 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of one B2S2O9 sheet oriented in the (0, 0, 1) direction. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share a cornercorner with one BO4 tetrahedra and corners with three equivalent SO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.39–1.53 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent BO4 tetrahedra. There are a spread of S–O bond distances ranging from 1.41–1.53 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one B3+ and one S6+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one B3+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one B3+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent B3+ atoms.
- Publication Date:
- Other Number(s):
- mp-1019509
- 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-O-S; B2S2O9; crystal structure
- OSTI Identifier:
- 1350641
- DOI:
- https://doi.org/10.17188/1350641
Citation Formats
Materials Data on B2S2O9 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1350641.
Materials Data on B2S2O9 by Materials Project. United States. doi:https://doi.org/10.17188/1350641
2020.
"Materials Data on B2S2O9 by Materials Project". United States. doi:https://doi.org/10.17188/1350641. https://www.osti.gov/servlets/purl/1350641. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1350641,
title = {Materials Data on B2S2O9 by Materials Project},
abstractNote = {B2S2O9 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of one B2S2O9 sheet oriented in the (0, 0, 1) direction. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share a cornercorner with one BO4 tetrahedra and corners with three equivalent SO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.39–1.53 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent BO4 tetrahedra. There are a spread of S–O bond distances ranging from 1.41–1.53 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one B3+ and one S6+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one B3+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one B3+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent B3+ atoms.},
doi = {10.17188/1350641},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}