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Title: Materials Data on Na3(W2O3)2 by Materials Project

Abstract

Na3(W2O3)2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.44–2.83 Å. In the second Na1+ site, Na1+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.52–2.63 Å. In the third Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.59–2.62 Å. W+2.25+ is bonded in a T-shaped geometry to three O2- atoms. There are a spread of W–O bond distances ranging from 1.97–2.06 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three Na1+ and two equivalent W+2.25+ atoms to form a mixture of distorted edge and corner-sharing ONa3W2 trigonal bipyramids. In the second O2- site, O2- is bonded to three Na1+ and two equivalent W+2.25+ atoms to form a mixture of distorted edge, corner, and face-sharing ONa3W2 square pyramids. In the third O2- site, O2- is bonded to threemore » Na1+ and two equivalent W+2.25+ atoms to form a mixture of edge, corner, and face-sharing ONa3W2 square pyramids.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-37950
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; Na3(W2O3)2; Na-O-W
OSTI Identifier:
1207445
DOI:
10.17188/1207445

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Na3(W2O3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207445.
Persson, Kristin, & Project, Materials. Materials Data on Na3(W2O3)2 by Materials Project. United States. doi:10.17188/1207445.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Na3(W2O3)2 by Materials Project". United States. doi:10.17188/1207445. https://www.osti.gov/servlets/purl/1207445. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1207445,
title = {Materials Data on Na3(W2O3)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Na3(W2O3)2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.44–2.83 Å. In the second Na1+ site, Na1+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.52–2.63 Å. In the third Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.59–2.62 Å. W+2.25+ is bonded in a T-shaped geometry to three O2- atoms. There are a spread of W–O bond distances ranging from 1.97–2.06 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three Na1+ and two equivalent W+2.25+ atoms to form a mixture of distorted edge and corner-sharing ONa3W2 trigonal bipyramids. In the second O2- site, O2- is bonded to three Na1+ and two equivalent W+2.25+ atoms to form a mixture of distorted edge, corner, and face-sharing ONa3W2 square pyramids. In the third O2- site, O2- is bonded to three Na1+ and two equivalent W+2.25+ atoms to form a mixture of edge, corner, and face-sharing ONa3W2 square pyramids.},
doi = {10.17188/1207445},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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