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Title: Materials Data on Na2TeO4 by Materials Project

Abstract

Na2TeO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four 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 2.34–2.80 Å. In the second 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 2.33–2.88 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 2.28–2.71 Å. In the fourth 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 2.30–2.81 Å. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded to six O2- atoms to form edge-sharing TeO6 octahedra. There are a spread of Te–O bond distances ranging from 1.87–2.08 Å. In the second Te6+ site, Te6+ is bonded to six O2- atoms to form edge-sharing TeO6 octahedra. There are a spread of Te–O bond distances ranging from 1.86–2.09 Å. There are eight inequivalent O2- sites.more » In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+ and two Te6+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three Na1+ and two Te6+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four Na1+ and one Te6+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to three Na1+ and two Te6+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and two Te6+ atoms. In the sixth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Na1+ and one Te6+ atom. In the seventh O2- site, O2- is bonded in a 5-coordinate geometry to four Na1+ and one Te6+ atom. In the eighth O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to three Na1+ and one Te6+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-560613
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Na2TeO4; Na-O-Te
OSTI Identifier:
1271572
DOI:
https://doi.org/10.17188/1271572

Citation Formats

The Materials Project. Materials Data on Na2TeO4 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1271572.
The Materials Project. Materials Data on Na2TeO4 by Materials Project. United States. doi:https://doi.org/10.17188/1271572
The Materials Project. 2017. "Materials Data on Na2TeO4 by Materials Project". United States. doi:https://doi.org/10.17188/1271572. https://www.osti.gov/servlets/purl/1271572. Pub date:Tue Jul 18 00:00:00 EDT 2017
@article{osti_1271572,
title = {Materials Data on Na2TeO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2TeO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four 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 2.34–2.80 Å. In the second 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 2.33–2.88 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 2.28–2.71 Å. In the fourth 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 2.30–2.81 Å. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded to six O2- atoms to form edge-sharing TeO6 octahedra. There are a spread of Te–O bond distances ranging from 1.87–2.08 Å. In the second Te6+ site, Te6+ is bonded to six O2- atoms to form edge-sharing TeO6 octahedra. There are a spread of Te–O bond distances ranging from 1.86–2.09 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+ and two Te6+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three Na1+ and two Te6+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four Na1+ and one Te6+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to three Na1+ and two Te6+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and two Te6+ atoms. In the sixth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Na1+ and one Te6+ atom. In the seventh O2- site, O2- is bonded in a 5-coordinate geometry to four Na1+ and one Te6+ atom. In the eighth O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to three Na1+ and one Te6+ atom.},
doi = {10.17188/1271572},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 18 00:00:00 EDT 2017},
month = {Tue Jul 18 00:00:00 EDT 2017}
}