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Title: Materials Data on Na2Te4O9 by Materials Project

Abstract

Na2Te4O9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.06–2.59 Å. In the second Na1+ site, Na1+ is bonded in a 2-coordinate geometry to two O2- atoms. There is one shorter (1.75 Å) and one longer (2.24 Å) Na–O bond length. There are four inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 2.11–2.94 Å. In the second Te4+ site, Te4+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.50–2.63 Å. In the third Te4+ site, Te4+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.44–2.71 Å. In the fourth Te4+ site, Te4+ is bonded in a distorted single-bond geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.45–2.37 Å. There are nine inequivalent O2-more » sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to two Te4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+ and two equivalent Te4+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Te4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Na1+ and two Te4+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and one Te4+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Te4+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+ and one Te4+ atom. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to one Te4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-28904
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; Na2Te4O9; Na-O-Te
OSTI Identifier:
1202978
DOI:
https://doi.org/10.17188/1202978

Citation Formats

The Materials Project. Materials Data on Na2Te4O9 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1202978.
The Materials Project. Materials Data on Na2Te4O9 by Materials Project. United States. doi:https://doi.org/10.17188/1202978
The Materials Project. 2014. "Materials Data on Na2Te4O9 by Materials Project". United States. doi:https://doi.org/10.17188/1202978. https://www.osti.gov/servlets/purl/1202978. Pub date:Mon Feb 24 00:00:00 EST 2014
@article{osti_1202978,
title = {Materials Data on Na2Te4O9 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2Te4O9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.06–2.59 Å. In the second Na1+ site, Na1+ is bonded in a 2-coordinate geometry to two O2- atoms. There is one shorter (1.75 Å) and one longer (2.24 Å) Na–O bond length. There are four inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 2.11–2.94 Å. In the second Te4+ site, Te4+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.50–2.63 Å. In the third Te4+ site, Te4+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.44–2.71 Å. In the fourth Te4+ site, Te4+ is bonded in a distorted single-bond geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.45–2.37 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to two Te4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+ and two equivalent Te4+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Te4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Na1+ and two Te4+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and one Te4+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Te4+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+ and one Te4+ atom. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to one Te4+ atom.},
doi = {10.17188/1202978},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {2}
}