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Title: Materials Data on SrTi4(CuO4)3 by Materials Project

Abstract

SrCu3Ti4O12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share faces with eight equivalent TiO6 octahedra. All Sr–O bond lengths are 2.65 Å. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with two equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 39°. All Ti–O bond lengths are 1.99 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.99 Å. O2- is bonded in a 3-coordinate geometry to one Sr2+, two equivalent Ti4+, and one Cu2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1208604
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; SrTi4(CuO4)3; Cu-O-Sr-Ti
OSTI Identifier:
1746619
DOI:
https://doi.org/10.17188/1746619

Citation Formats

The Materials Project. Materials Data on SrTi4(CuO4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746619.
The Materials Project. Materials Data on SrTi4(CuO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1746619
The Materials Project. 2020. "Materials Data on SrTi4(CuO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1746619. https://www.osti.gov/servlets/purl/1746619. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1746619,
title = {Materials Data on SrTi4(CuO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {SrCu3Ti4O12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share faces with eight equivalent TiO6 octahedra. All Sr–O bond lengths are 2.65 Å. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with two equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 39°. All Ti–O bond lengths are 1.99 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.99 Å. O2- is bonded in a 3-coordinate geometry to one Sr2+, two equivalent Ti4+, and one Cu2+ atom.},
doi = {10.17188/1746619},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}