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Title: Materials Data on Ti9O10 by Materials Project

Abstract

Ti9O10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Ti+2.22+ sites. In the first Ti+2.22+ site, Ti+2.22+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ti–O bond distances ranging from 2.07–2.53 Å. In the second Ti+2.22+ site, Ti+2.22+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ti–O bond distances ranging from 1.96–2.05 Å. In the third Ti+2.22+ site, Ti+2.22+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 2.00–2.12 Å. In the fourth Ti+2.22+ site, Ti+2.22+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ti–O bond distances ranging from 2.04–2.14 Å. In the fifth Ti+2.22+ site, Ti+2.22+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 2.07–2.58 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to five Ti+2.22+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to five Ti+2.22+ atoms. In themore » third O2- site, O2- is bonded to four Ti+2.22+ atoms to form distorted OTi4 trigonal pyramids that share a cornercorner with one OTi5 trigonal bipyramid, a cornercorner with one OTi4 trigonal pyramid, and an edgeedge with one OTi4 trigonal pyramid. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to five Ti+2.22+ atoms. In the fifth O2- site, O2- is bonded to five Ti+2.22+ atoms to form OTi5 trigonal bipyramids that share a cornercorner with one OTi4 trigonal pyramid and edges with two equivalent OTi5 trigonal bipyramids.« less

Publication Date:
Other Number(s):
mp-32813
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; Ti9O10; O-Ti
OSTI Identifier:
1206411
DOI:
https://doi.org/10.17188/1206411

Citation Formats

The Materials Project. Materials Data on Ti9O10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206411.
The Materials Project. Materials Data on Ti9O10 by Materials Project. United States. doi:https://doi.org/10.17188/1206411
The Materials Project. 2020. "Materials Data on Ti9O10 by Materials Project". United States. doi:https://doi.org/10.17188/1206411. https://www.osti.gov/servlets/purl/1206411. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1206411,
title = {Materials Data on Ti9O10 by Materials Project},
author = {The Materials Project},
abstractNote = {Ti9O10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Ti+2.22+ sites. In the first Ti+2.22+ site, Ti+2.22+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ti–O bond distances ranging from 2.07–2.53 Å. In the second Ti+2.22+ site, Ti+2.22+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ti–O bond distances ranging from 1.96–2.05 Å. In the third Ti+2.22+ site, Ti+2.22+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 2.00–2.12 Å. In the fourth Ti+2.22+ site, Ti+2.22+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ti–O bond distances ranging from 2.04–2.14 Å. In the fifth Ti+2.22+ site, Ti+2.22+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 2.07–2.58 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to five Ti+2.22+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to five Ti+2.22+ atoms. In the third O2- site, O2- is bonded to four Ti+2.22+ atoms to form distorted OTi4 trigonal pyramids that share a cornercorner with one OTi5 trigonal bipyramid, a cornercorner with one OTi4 trigonal pyramid, and an edgeedge with one OTi4 trigonal pyramid. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to five Ti+2.22+ atoms. In the fifth O2- site, O2- is bonded to five Ti+2.22+ atoms to form OTi5 trigonal bipyramids that share a cornercorner with one OTi4 trigonal pyramid and edges with two equivalent OTi5 trigonal bipyramids.},
doi = {10.17188/1206411},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}