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Title: 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.

Publication Date:
Other Number(s):
mvc-11034
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; 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 = {2020},
month = {4}
}