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Title: Materials Data on NaIn(TeO3)2 by Materials Project

Abstract

NaIn(TeO3)2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.46–3.11 Å. In3+ is bonded to six O2- atoms to form edge-sharing InO6 octahedra. There are a spread of In–O bond distances ranging from 2.15–2.23 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.88–1.93 Å. In the second 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 1.91–2.72 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one In3+, and one Te4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two equivalent In3+, and one Te4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Na1+, one In3+, and one Te4+ atom. In the fourth O2- site, O2- ismore » bonded in a 4-coordinate geometry to one Na1+, one In3+, and two equivalent Te4+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two Te4+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Na1+, one In3+, and one Te4+ atom.« less

Publication Date:
Other Number(s):
mp-1194878
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; NaIn(TeO3)2; In-Na-O-Te
OSTI Identifier:
1753963
DOI:
https://doi.org/10.17188/1753963

Citation Formats

The Materials Project. Materials Data on NaIn(TeO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753963.
The Materials Project. Materials Data on NaIn(TeO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1753963
The Materials Project. 2020. "Materials Data on NaIn(TeO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1753963. https://www.osti.gov/servlets/purl/1753963. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1753963,
title = {Materials Data on NaIn(TeO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaIn(TeO3)2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.46–3.11 Å. In3+ is bonded to six O2- atoms to form edge-sharing InO6 octahedra. There are a spread of In–O bond distances ranging from 2.15–2.23 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.88–1.93 Å. In the second 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 1.91–2.72 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one In3+, and one Te4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two equivalent In3+, and one Te4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Na1+, one In3+, and one Te4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, one In3+, and two equivalent Te4+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two Te4+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Na1+, one In3+, and one Te4+ atom.},
doi = {10.17188/1753963},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}