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Title: Materials Data on BeZnO2 by Materials Project

Abstract

BeZnO2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Be2+ is bonded to four equivalent O2- atoms to form BeO4 tetrahedra that share corners with four equivalent BeO4 tetrahedra and corners with eight equivalent ZnO4 tetrahedra. All Be–O bond lengths are 1.67 Å. Zn2+ is bonded to four equivalent O2- atoms to form ZnO4 tetrahedra that share corners with four equivalent ZnO4 tetrahedra and corners with eight equivalent BeO4 tetrahedra. All Zn–O bond lengths are 2.00 Å. O2- is bonded to two equivalent Be2+ and two equivalent Zn2+ atoms to form distorted corner-sharing OBe2Zn2 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-550433
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; BeZnO2; Be-O-Zn
OSTI Identifier:
1267416
DOI:
https://doi.org/10.17188/1267416

Citation Formats

The Materials Project. Materials Data on BeZnO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267416.
The Materials Project. Materials Data on BeZnO2 by Materials Project. United States. doi:https://doi.org/10.17188/1267416
The Materials Project. 2020. "Materials Data on BeZnO2 by Materials Project". United States. doi:https://doi.org/10.17188/1267416. https://www.osti.gov/servlets/purl/1267416. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1267416,
title = {Materials Data on BeZnO2 by Materials Project},
author = {The Materials Project},
abstractNote = {BeZnO2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Be2+ is bonded to four equivalent O2- atoms to form BeO4 tetrahedra that share corners with four equivalent BeO4 tetrahedra and corners with eight equivalent ZnO4 tetrahedra. All Be–O bond lengths are 1.67 Å. Zn2+ is bonded to four equivalent O2- atoms to form ZnO4 tetrahedra that share corners with four equivalent ZnO4 tetrahedra and corners with eight equivalent BeO4 tetrahedra. All Zn–O bond lengths are 2.00 Å. O2- is bonded to two equivalent Be2+ and two equivalent Zn2+ atoms to form distorted corner-sharing OBe2Zn2 tetrahedra.},
doi = {10.17188/1267416},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Jul 20 00:00:00 EDT 2020},
month = {Mon Jul 20 00:00:00 EDT 2020}
}