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Title: Materials Data on CsBSe3 by Materials Project

Abstract

CsBSe3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four cesium molecules and two BSe3 ribbons oriented in the (1, 0, 0) direction. In each BSe3 ribbon, B3- is bonded to four Se+0.67+ atoms to form corner-sharing BSe4 tetrahedra. There are a spread of B–Se bond distances ranging from 2.06–2.10 Å. There are three inequivalent Se+0.67+ sites. In the first Se+0.67+ site, Se+0.67+ is bonded in a single-bond geometry to one B3- atom. In the second Se+0.67+ site, Se+0.67+ is bonded in a water-like geometry to two equivalent B3- atoms. In the third Se+0.67+ site, Se+0.67+ is bonded in a single-bond geometry to one B3- atom.

Publication Date:
Other Number(s):
mp-573358
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; CsBSe3; B-Cs-Se
OSTI Identifier:
1276488
DOI:
10.17188/1276488

Citation Formats

The Materials Project. Materials Data on CsBSe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276488.
The Materials Project. Materials Data on CsBSe3 by Materials Project. United States. doi:10.17188/1276488.
The Materials Project. 2020. "Materials Data on CsBSe3 by Materials Project". United States. doi:10.17188/1276488. https://www.osti.gov/servlets/purl/1276488. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1276488,
title = {Materials Data on CsBSe3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsBSe3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four cesium molecules and two BSe3 ribbons oriented in the (1, 0, 0) direction. In each BSe3 ribbon, B3- is bonded to four Se+0.67+ atoms to form corner-sharing BSe4 tetrahedra. There are a spread of B–Se bond distances ranging from 2.06–2.10 Å. There are three inequivalent Se+0.67+ sites. In the first Se+0.67+ site, Se+0.67+ is bonded in a single-bond geometry to one B3- atom. In the second Se+0.67+ site, Se+0.67+ is bonded in a water-like geometry to two equivalent B3- atoms. In the third Se+0.67+ site, Se+0.67+ is bonded in a single-bond geometry to one B3- atom.},
doi = {10.17188/1276488},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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