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Title: Materials Data on NiTe6O13 by Materials Project

Abstract

NiTe6O13 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ni2+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.07 Å) and three longer (2.19 Å) Ni–O bond lengths. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.88–2.20 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 1.89–2.59 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ni2+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ni2+ and two equivalent Te4+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Te4+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two Te4+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Te4+more » atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1196304
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; NiTe6O13; Ni-O-Te
OSTI Identifier:
1709995
DOI:
https://doi.org/10.17188/1709995

Citation Formats

The Materials Project. Materials Data on NiTe6O13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1709995.
The Materials Project. Materials Data on NiTe6O13 by Materials Project. United States. doi:https://doi.org/10.17188/1709995
The Materials Project. 2020. "Materials Data on NiTe6O13 by Materials Project". United States. doi:https://doi.org/10.17188/1709995. https://www.osti.gov/servlets/purl/1709995. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1709995,
title = {Materials Data on NiTe6O13 by Materials Project},
author = {The Materials Project},
abstractNote = {NiTe6O13 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ni2+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.07 Å) and three longer (2.19 Å) Ni–O bond lengths. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.88–2.20 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 1.89–2.59 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ni2+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ni2+ and two equivalent Te4+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Te4+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two Te4+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Te4+ atoms.},
doi = {10.17188/1709995},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}