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Title: Materials Data on Na2ZnO2 by Materials Project

Abstract

Na2ZnO2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four equivalent O2- atoms to form NaO4 tetrahedra that share corners with four equivalent NaO4 tetrahedra, corners with four equivalent ZnO4 tetrahedra, and edges with four equivalent NaO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.37–2.48 Å. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.32–2.74 Å. Zn2+ is bonded to four O2- atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent NaO4 tetrahedra, corners with four equivalent ZnO4 tetrahedra, and an edgeedge with one ZnO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.94–2.12 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 7-coordinate geometry to six Na1+ and one Zn2+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to three equivalent Na1+ and three equivalent Zn2+ atoms.

Publication Date:
Other Number(s):
mp-29488
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; Na2ZnO2; Na-O-Zn
OSTI Identifier:
1203965
DOI:
https://doi.org/10.17188/1203965

Citation Formats

The Materials Project. Materials Data on Na2ZnO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203965.
The Materials Project. Materials Data on Na2ZnO2 by Materials Project. United States. doi:https://doi.org/10.17188/1203965
The Materials Project. 2020. "Materials Data on Na2ZnO2 by Materials Project". United States. doi:https://doi.org/10.17188/1203965. https://www.osti.gov/servlets/purl/1203965. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1203965,
title = {Materials Data on Na2ZnO2 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2ZnO2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four equivalent O2- atoms to form NaO4 tetrahedra that share corners with four equivalent NaO4 tetrahedra, corners with four equivalent ZnO4 tetrahedra, and edges with four equivalent NaO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.37–2.48 Å. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.32–2.74 Å. Zn2+ is bonded to four O2- atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent NaO4 tetrahedra, corners with four equivalent ZnO4 tetrahedra, and an edgeedge with one ZnO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.94–2.12 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 7-coordinate geometry to six Na1+ and one Zn2+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to three equivalent Na1+ and three equivalent Zn2+ atoms.},
doi = {10.17188/1203965},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}