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Title: Materials Data on TiTe3O8 by Materials Project

Abstract

TiTe3O8 crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Ti4+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Ti–O bond lengths are 1.98 Å. Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (1.91 Å) and two longer (2.15 Å) Te–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ti4+ and one Te4+ atom.

Publication Date:
Other Number(s):
mp-5214
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; TiTe3O8; O-Te-Ti
OSTI Identifier:
1263144
DOI:
10.17188/1263144

Citation Formats

The Materials Project. Materials Data on TiTe3O8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1263144.
The Materials Project. Materials Data on TiTe3O8 by Materials Project. United States. doi:10.17188/1263144.
The Materials Project. 2020. "Materials Data on TiTe3O8 by Materials Project". United States. doi:10.17188/1263144. https://www.osti.gov/servlets/purl/1263144. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1263144,
title = {Materials Data on TiTe3O8 by Materials Project},
author = {The Materials Project},
abstractNote = {TiTe3O8 crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Ti4+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Ti–O bond lengths are 1.98 Å. Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (1.91 Å) and two longer (2.15 Å) Te–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ti4+ and one Te4+ atom.},
doi = {10.17188/1263144},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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