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Title: Materials Data on ZnBSe2 by Materials Project

Abstract

ZnBSe2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zn is bonded to four equivalent B and four equivalent Se atoms to form distorted edge-sharing ZnB4Se4 tetrahedra. All Zn–B bond lengths are 2.81 Å. All Zn–Se bond lengths are 2.81 Å. B is bonded in a distorted body-centered cubic geometry to four equivalent Zn and four equivalent Se atoms. All B–Se bond lengths are 2.81 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded to four equivalent Zn atoms to form distorted corner-sharing SeZn4 tetrahedra. In the second Se site, Se is bonded in a 8-coordinate geometry to four equivalent B atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-631528
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; ZnBSe2; B-Se-Zn
OSTI Identifier:
1279217
DOI:
10.17188/1279217

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on ZnBSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279217.
Persson, Kristin, & Project, Materials. Materials Data on ZnBSe2 by Materials Project. United States. doi:10.17188/1279217.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on ZnBSe2 by Materials Project". United States. doi:10.17188/1279217. https://www.osti.gov/servlets/purl/1279217. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1279217,
title = {Materials Data on ZnBSe2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {ZnBSe2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zn is bonded to four equivalent B and four equivalent Se atoms to form distorted edge-sharing ZnB4Se4 tetrahedra. All Zn–B bond lengths are 2.81 Å. All Zn–Se bond lengths are 2.81 Å. B is bonded in a distorted body-centered cubic geometry to four equivalent Zn and four equivalent Se atoms. All B–Se bond lengths are 2.81 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded to four equivalent Zn atoms to form distorted corner-sharing SeZn4 tetrahedra. In the second Se site, Se is bonded in a 8-coordinate geometry to four equivalent B atoms.},
doi = {10.17188/1279217},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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