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Title: Materials Data on Na2B2S5 by Materials Project

Abstract

Na2B2S5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 5-coordinate geometry to five S+0.40- atoms. There are a spread of Na–S bond distances ranging from 2.86–3.25 Å. There are two inequivalent B sites. In the first B site, B is bonded in a trigonal planar geometry to three S+0.40- atoms. There are a spread of B–S bond distances ranging from 1.78–1.84 Å. In the second B site, B is bonded in a trigonal planar geometry to three S+0.40- atoms. There are a spread of B–S bond distances ranging from 1.78–1.83 Å. There are five inequivalent S+0.40- sites. In the first S+0.40- site, S+0.40- is bonded in a distorted single-bond geometry to one B atom. In the second S+0.40- site, S+0.40- is bonded in a 5-coordinate geometry to four equivalent Na1+ and one B atom. In the third S+0.40- site, S+0.40- is bonded in a 1-coordinate geometry to four equivalent Na1+ and one B atom. In the fourth S+0.40- site, S+0.40- is bonded in a distorted water-like geometry to two equivalent Na1+ and two B atoms. In the fifth S+0.40- site, S+0.40- is bonded in a distorted single-bond geometry to one B atom.

Publication Date:
Other Number(s):
mp-29411
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; Na2B2S5; B-Na-S
OSTI Identifier:
1203786
DOI:
10.17188/1203786

Citation Formats

The Materials Project. Materials Data on Na2B2S5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203786.
The Materials Project. Materials Data on Na2B2S5 by Materials Project. United States. doi:10.17188/1203786.
The Materials Project. 2020. "Materials Data on Na2B2S5 by Materials Project". United States. doi:10.17188/1203786. https://www.osti.gov/servlets/purl/1203786. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1203786,
title = {Materials Data on Na2B2S5 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2B2S5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 5-coordinate geometry to five S+0.40- atoms. There are a spread of Na–S bond distances ranging from 2.86–3.25 Å. There are two inequivalent B sites. In the first B site, B is bonded in a trigonal planar geometry to three S+0.40- atoms. There are a spread of B–S bond distances ranging from 1.78–1.84 Å. In the second B site, B is bonded in a trigonal planar geometry to three S+0.40- atoms. There are a spread of B–S bond distances ranging from 1.78–1.83 Å. There are five inequivalent S+0.40- sites. In the first S+0.40- site, S+0.40- is bonded in a distorted single-bond geometry to one B atom. In the second S+0.40- site, S+0.40- is bonded in a 5-coordinate geometry to four equivalent Na1+ and one B atom. In the third S+0.40- site, S+0.40- is bonded in a 1-coordinate geometry to four equivalent Na1+ and one B atom. In the fourth S+0.40- site, S+0.40- is bonded in a distorted water-like geometry to two equivalent Na1+ and two B atoms. In the fifth S+0.40- site, S+0.40- is bonded in a distorted single-bond geometry to one B atom.},
doi = {10.17188/1203786},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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