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Title: Materials Data on Na2SeO4 by Materials Project

Abstract

Na2SeO4 is Hausmannite-derived structured and crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form distorted NaO6 pentagonal pyramids that share corners with four equivalent NaO6 pentagonal pyramids, corners with four equivalent SeO4 tetrahedra, edges with four equivalent NaO6 pentagonal pyramids, and an edgeedge with one SeO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.37–2.61 Å. Se6+ is bonded to four equivalent O2- atoms to form SeO4 tetrahedra that share corners with eight equivalent NaO6 pentagonal pyramids and edges with two equivalent NaO6 pentagonal pyramids. All Se–O bond lengths are 1.68 Å. O2- is bonded in a 4-coordinate geometry to three equivalent Na1+ and one Se6+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-5141
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; Na2SeO4; Na-O-Se
OSTI Identifier:
1263101
DOI:
10.17188/1263101

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Na2SeO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1263101.
Persson, Kristin, & Project, Materials. Materials Data on Na2SeO4 by Materials Project. United States. doi:10.17188/1263101.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Na2SeO4 by Materials Project". United States. doi:10.17188/1263101. https://www.osti.gov/servlets/purl/1263101. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1263101,
title = {Materials Data on Na2SeO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Na2SeO4 is Hausmannite-derived structured and crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form distorted NaO6 pentagonal pyramids that share corners with four equivalent NaO6 pentagonal pyramids, corners with four equivalent SeO4 tetrahedra, edges with four equivalent NaO6 pentagonal pyramids, and an edgeedge with one SeO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.37–2.61 Å. Se6+ is bonded to four equivalent O2- atoms to form SeO4 tetrahedra that share corners with eight equivalent NaO6 pentagonal pyramids and edges with two equivalent NaO6 pentagonal pyramids. All Se–O bond lengths are 1.68 Å. O2- is bonded in a 4-coordinate geometry to three equivalent Na1+ and one Se6+ atom.},
doi = {10.17188/1263101},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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