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Title: 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; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; B2S2O9; B-O-S
OSTI Identifier:
1350641
DOI:
10.17188/1350641

Citation Formats

The Materials Project. Materials Data on B2S2O9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1350641.
The Materials Project. Materials Data on B2S2O9 by Materials Project. United States. doi:10.17188/1350641.
The Materials Project. 2020. "Materials Data on B2S2O9 by Materials Project". United States. doi: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},
author = {The 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}
}

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