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Title: Materials Data on NaAsO2 by Materials Project

Abstract

NaAsO2 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two NaAsO2 sheets oriented in the (0, 0, 1) direction. Na1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.32–2.87 Å. As3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.73–1.88 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+ and two equivalent As3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Na1+ and one As3+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-3468
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; NaAsO2; As-Na-O
OSTI Identifier:
1206869
DOI:
10.17188/1206869

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on NaAsO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206869.
Persson, Kristin, & Project, Materials. Materials Data on NaAsO2 by Materials Project. United States. doi:10.17188/1206869.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on NaAsO2 by Materials Project". United States. doi:10.17188/1206869. https://www.osti.gov/servlets/purl/1206869. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1206869,
title = {Materials Data on NaAsO2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {NaAsO2 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two NaAsO2 sheets oriented in the (0, 0, 1) direction. Na1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.32–2.87 Å. As3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.73–1.88 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+ and two equivalent As3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Na1+ and one As3+ atom.},
doi = {10.17188/1206869},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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