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Title: Materials Data on MgZnO2 by Materials Project

Abstract

MgZnO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form MgO6 octahedra that share corners with six equivalent ZnO6 octahedra, edges with six equivalent MgO6 octahedra, and edges with six equivalent ZnO6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Mg–O bond lengths are 2.12 Å. Zn2+ is bonded to six equivalent O2- atoms to form ZnO6 octahedra that share corners with six equivalent MgO6 octahedra, edges with six equivalent MgO6 octahedra, and edges with six equivalent ZnO6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Zn–O bond lengths are 2.17 Å. O2- is bonded to three equivalent Mg2+ and three equivalent Zn2+ atoms to form a mixture of corner and edge-sharing OMg3Zn3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-1221939
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; MgZnO2; Mg-O-Zn
OSTI Identifier:
1744073
DOI:
https://doi.org/10.17188/1744073

Citation Formats

The Materials Project. Materials Data on MgZnO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744073.
The Materials Project. Materials Data on MgZnO2 by Materials Project. United States. doi:https://doi.org/10.17188/1744073
The Materials Project. 2020. "Materials Data on MgZnO2 by Materials Project". United States. doi:https://doi.org/10.17188/1744073. https://www.osti.gov/servlets/purl/1744073. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1744073,
title = {Materials Data on MgZnO2 by Materials Project},
author = {The Materials Project},
abstractNote = {MgZnO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form MgO6 octahedra that share corners with six equivalent ZnO6 octahedra, edges with six equivalent MgO6 octahedra, and edges with six equivalent ZnO6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Mg–O bond lengths are 2.12 Å. Zn2+ is bonded to six equivalent O2- atoms to form ZnO6 octahedra that share corners with six equivalent MgO6 octahedra, edges with six equivalent MgO6 octahedra, and edges with six equivalent ZnO6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Zn–O bond lengths are 2.17 Å. O2- is bonded to three equivalent Mg2+ and three equivalent Zn2+ atoms to form a mixture of corner and edge-sharing OMg3Zn3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1744073},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}