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Title: Materials Data on Zn4B6O13 by Materials Project

Abstract

Zn4B6O13 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Zn2+ is bonded to four O2- atoms to form distorted ZnO4 trigonal pyramids that share corners with six equivalent BO4 tetrahedra and corners with three equivalent ZnO4 trigonal pyramids. There are three shorter (1.99 Å) and one longer (2.01 Å) Zn–O bond lengths. B3+ is bonded to four equivalent O2- atoms to form BO4 tetrahedra that share corners with four equivalent BO4 tetrahedra and corners with four equivalent ZnO4 trigonal pyramids. All B–O bond lengths are 1.48 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a tetrahedral geometry to four equivalent Zn2+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Zn2+ and two equivalent B3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-4812
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; Zn4B6O13; B-O-Zn
OSTI Identifier:
1208417
DOI:
10.17188/1208417

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Zn4B6O13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1208417.
Persson, Kristin, & Project, Materials. Materials Data on Zn4B6O13 by Materials Project. United States. doi:10.17188/1208417.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Zn4B6O13 by Materials Project". United States. doi:10.17188/1208417. https://www.osti.gov/servlets/purl/1208417. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1208417,
title = {Materials Data on Zn4B6O13 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Zn4B6O13 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Zn2+ is bonded to four O2- atoms to form distorted ZnO4 trigonal pyramids that share corners with six equivalent BO4 tetrahedra and corners with three equivalent ZnO4 trigonal pyramids. There are three shorter (1.99 Å) and one longer (2.01 Å) Zn–O bond lengths. B3+ is bonded to four equivalent O2- atoms to form BO4 tetrahedra that share corners with four equivalent BO4 tetrahedra and corners with four equivalent ZnO4 trigonal pyramids. All B–O bond lengths are 1.48 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a tetrahedral geometry to four equivalent Zn2+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Zn2+ and two equivalent B3+ atoms.},
doi = {10.17188/1208417},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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