U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ti10O13 by Materials Project
Abstract
Ti10O13 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are five inequivalent Ti+2.60+ sites. In the first Ti+2.60+ site, Ti+2.60+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 2–13°. There are a spread of Ti–O bond distances ranging from 2.03–2.15 Å. In the second Ti+2.60+ site, Ti+2.60+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–12°. There are a spread of Ti–O bond distances ranging from 2.00–2.13 Å. In the third Ti+2.60+ site, Ti+2.60+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. There are a spread of Ti–O bond distances ranging from 2.06–2.11 Å. In the fourth Ti+2.60+ site, Ti+2.60+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. There are a spread of Ti–O bond distances ranging from 2.05–2.09 Å. In the fifth Ti+2.60+ site, Ti+2.60+ is bonded to six O2- atoms to formmore »
- Publication Date:
- Other Number(s):
- mp-753593
- 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; O-Ti; Ti10O13; crystal structure
- OSTI Identifier:
- 1289067
- DOI:
- https://doi.org/10.17188/1289067
Citation Formats
Materials Data on Ti10O13 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1289067.
Materials Data on Ti10O13 by Materials Project. United States. doi:https://doi.org/10.17188/1289067
2020.
"Materials Data on Ti10O13 by Materials Project". United States. doi:https://doi.org/10.17188/1289067. https://www.osti.gov/servlets/purl/1289067. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1289067,
title = {Materials Data on Ti10O13 by Materials Project},
abstractNote = {Ti10O13 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are five inequivalent Ti+2.60+ sites. In the first Ti+2.60+ site, Ti+2.60+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 2–13°. There are a spread of Ti–O bond distances ranging from 2.03–2.15 Å. In the second Ti+2.60+ site, Ti+2.60+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–12°. There are a spread of Ti–O bond distances ranging from 2.00–2.13 Å. In the third Ti+2.60+ site, Ti+2.60+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. There are a spread of Ti–O bond distances ranging from 2.06–2.11 Å. In the fourth Ti+2.60+ site, Ti+2.60+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. There are a spread of Ti–O bond distances ranging from 2.05–2.09 Å. In the fifth Ti+2.60+ site, Ti+2.60+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. There are a spread of Ti–O bond distances ranging from 2.06–2.09 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded to five Ti+2.60+ atoms to form a mixture of edge and corner-sharing OTi5 square pyramids. In the second O2- site, O2- is bonded in a square co-planar geometry to four Ti+2.60+ atoms. In the third O2- site, O2- is bonded to five Ti+2.60+ atoms to form a mixture of edge and corner-sharing OTi5 square pyramids. In the fourth O2- site, O2- is bonded in a square co-planar geometry to four Ti+2.60+ atoms. In the fifth O2- site, O2- is bonded to five Ti+2.60+ atoms to form a mixture of edge and corner-sharing OTi5 square pyramids. In the sixth O2- site, O2- is bonded to five Ti+2.60+ atoms to form a mixture of edge and corner-sharing OTi5 square pyramids. In the seventh O2- site, O2- is bonded in a square co-planar geometry to four Ti+2.60+ atoms.},
doi = {10.17188/1289067},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}