Title: Materials Data on Ti3O by Materials Project

Abstract

Ti3O is Bismuth triodide-like structured and crystallizes in the trigonal P312 space group. The structure is two-dimensional and consists of three Ti3O sheets oriented in the (0, 0, 1) direction. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in an L-shaped geometry to two equivalent O atoms. There are one shorter (2.12 Å) and one longer (2.13 Å) Ti–O bond lengths. In the second Ti site, Ti is bonded in an L-shaped geometry to two equivalent O atoms. Both Ti–O bond lengths are 2.12 Å. O is bonded to six Ti atoms to form edge-sharing OTi6 octahedra.

Publication Date:
Other Number(s):
mp-557812
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; crystal structure; O-Ti; Ti3O
OSTI Identifier:
1270026
DOI:
https://doi.org/10.17188/1270026

Citation Formats

Materials Data on Ti3O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270026.
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Materials Data on Ti3O by Materials Project. United States. doi:https://doi.org/10.17188/1270026
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2020. "Materials Data on Ti3O by Materials Project". United States. doi:https://doi.org/10.17188/1270026. https://www.osti.gov/servlets/purl/1270026. Pub date:Tue Jul 14 20:00:00 EDT 2020
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@article{osti_1270026,
title = {Materials Data on Ti3O by Materials Project},
abstractNote = {Ti3O is Bismuth triodide-like structured and crystallizes in the trigonal P312 space group. The structure is two-dimensional and consists of three Ti3O sheets oriented in the (0, 0, 1) direction. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in an L-shaped geometry to two equivalent O atoms. There are one shorter (2.12 Å) and one longer (2.13 Å) Ti–O bond lengths. In the second Ti site, Ti is bonded in an L-shaped geometry to two equivalent O atoms. Both Ti–O bond lengths are 2.12 Å. O is bonded to six Ti atoms to form edge-sharing OTi6 octahedra.},
doi = {10.17188/1270026},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1270026
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