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Title: Materials Data on TiO by Materials Project

Abstract

TiO crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Ti2+ sites. In the first Ti2+ site, Ti2+ is bonded to five O2- atoms to form a mixture of corner and edge-sharing TiO5 square pyramids. There are a spread of Ti–O bond distances ranging from 2.00–2.15 Å. In the second Ti2+ site, Ti2+ is bonded to five O2- atoms to form a mixture of corner and edge-sharing TiO5 square pyramids. There are a spread of Ti–O bond distances ranging from 2.06–2.13 Å. In the third Ti2+ site, Ti2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.06 Å) and two longer (2.12 Å) Ti–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a square co-planar geometry to four Ti2+ atoms. In the second O2- site, O2- is bonded to five Ti2+ atoms to form a mixture of corner and edge-sharing OTi5 square pyramids. In the third O2- site, O2- is bonded to five Ti2+ atoms to form a mixture of corner and edge-sharing OTi5 square pyramids.

Publication Date:
Other Number(s):
mp-1203
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; TiO; O-Ti
OSTI Identifier:
1188530
DOI:
https://doi.org/10.17188/1188530

Citation Formats

The Materials Project. Materials Data on TiO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188530.
The Materials Project. Materials Data on TiO by Materials Project. United States. doi:https://doi.org/10.17188/1188530
The Materials Project. 2020. "Materials Data on TiO by Materials Project". United States. doi:https://doi.org/10.17188/1188530. https://www.osti.gov/servlets/purl/1188530. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1188530,
title = {Materials Data on TiO by Materials Project},
author = {The Materials Project},
abstractNote = {TiO crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Ti2+ sites. In the first Ti2+ site, Ti2+ is bonded to five O2- atoms to form a mixture of corner and edge-sharing TiO5 square pyramids. There are a spread of Ti–O bond distances ranging from 2.00–2.15 Å. In the second Ti2+ site, Ti2+ is bonded to five O2- atoms to form a mixture of corner and edge-sharing TiO5 square pyramids. There are a spread of Ti–O bond distances ranging from 2.06–2.13 Å. In the third Ti2+ site, Ti2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.06 Å) and two longer (2.12 Å) Ti–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a square co-planar geometry to four Ti2+ atoms. In the second O2- site, O2- is bonded to five Ti2+ atoms to form a mixture of corner and edge-sharing OTi5 square pyramids. In the third O2- site, O2- is bonded to five Ti2+ atoms to form a mixture of corner and edge-sharing OTi5 square pyramids.},
doi = {10.17188/1188530},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}