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Title: Materials Data on BeZn3O4 by Materials Project

Abstract

BeZn3O4 is Enargite-like structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Be2+ is bonded to four equivalent O2- atoms to form BeO4 tetrahedra that share corners with twelve ZnO4 tetrahedra. All Be–O bond lengths are 1.68 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four equivalent O2- atoms to form ZnO4 tetrahedra that share corners with four equivalent BeO4 tetrahedra and corners with eight equivalent ZnO4 tetrahedra. All Zn–O bond lengths are 2.02 Å. In the second Zn2+ site, Zn2+ is bonded to four equivalent O2- atoms to form ZnO4 tetrahedra that share corners with four equivalent BeO4 tetrahedra and corners with eight ZnO4 tetrahedra. All Zn–O bond lengths are 2.00 Å. O2- is bonded to one Be2+ and three Zn2+ atoms to form corner-sharing OBeZn3 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1227367
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; BeZn3O4; Be-O-Zn
OSTI Identifier:
1758335
DOI:
https://doi.org/10.17188/1758335

Citation Formats

The Materials Project. Materials Data on BeZn3O4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758335.
The Materials Project. Materials Data on BeZn3O4 by Materials Project. United States. doi:https://doi.org/10.17188/1758335
The Materials Project. 2020. "Materials Data on BeZn3O4 by Materials Project". United States. doi:https://doi.org/10.17188/1758335. https://www.osti.gov/servlets/purl/1758335. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758335,
title = {Materials Data on BeZn3O4 by Materials Project},
author = {The Materials Project},
abstractNote = {BeZn3O4 is Enargite-like structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Be2+ is bonded to four equivalent O2- atoms to form BeO4 tetrahedra that share corners with twelve ZnO4 tetrahedra. All Be–O bond lengths are 1.68 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four equivalent O2- atoms to form ZnO4 tetrahedra that share corners with four equivalent BeO4 tetrahedra and corners with eight equivalent ZnO4 tetrahedra. All Zn–O bond lengths are 2.02 Å. In the second Zn2+ site, Zn2+ is bonded to four equivalent O2- atoms to form ZnO4 tetrahedra that share corners with four equivalent BeO4 tetrahedra and corners with eight ZnO4 tetrahedra. All Zn–O bond lengths are 2.00 Å. O2- is bonded to one Be2+ and three Zn2+ atoms to form corner-sharing OBeZn3 tetrahedra.},
doi = {10.17188/1758335},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}