U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ti4(CuO4)3 by Materials Project
Abstract
Cu3Ti4O12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 43°. All Ti–O bond lengths are 1.99 Å. Cu+2.67+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.89 Å. O2- is bonded in a distorted trigonal planar geometry to two equivalent Ti4+ and one Cu+2.67+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mvc-11034
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Ti4(CuO4)3; Cu-O-Ti
- OSTI Identifier:
- 1318089
- DOI:
- https://doi.org/10.17188/1318089
Citation Formats
The Materials Project. Materials Data on Ti4(CuO4)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1318089.
The Materials Project. Materials Data on Ti4(CuO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1318089
The Materials Project. 2020.
"Materials Data on Ti4(CuO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1318089. https://www.osti.gov/servlets/purl/1318089. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1318089,
title = {Materials Data on Ti4(CuO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu3Ti4O12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 43°. All Ti–O bond lengths are 1.99 Å. Cu+2.67+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.89 Å. O2- is bonded in a distorted trigonal planar geometry to two equivalent Ti4+ and one Cu+2.67+ atom.},
doi = {10.17188/1318089},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}
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