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Title: Materials Data on Ba2UCuO6 by Materials Project

Abstract

Ba2UCuO6 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional and consists of two Ba2UCuO6 frameworks. Ba2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. All Ba–O bond lengths are 2.65 Å. U6+ is bonded in an octahedral geometry to six O2- atoms. There are four shorter (2.03 Å) and two longer (2.27 Å) U–O bond lengths. Cu2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.76 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ba2+ and one U6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one U6+ and one Cu2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-22272
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; Ba2UCuO6; Ba-Cu-O-U
OSTI Identifier:
1197498
DOI:
https://doi.org/10.17188/1197498

Citation Formats

The Materials Project. Materials Data on Ba2UCuO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197498.
The Materials Project. Materials Data on Ba2UCuO6 by Materials Project. United States. doi:https://doi.org/10.17188/1197498
The Materials Project. 2020. "Materials Data on Ba2UCuO6 by Materials Project". United States. doi:https://doi.org/10.17188/1197498. https://www.osti.gov/servlets/purl/1197498. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1197498,
title = {Materials Data on Ba2UCuO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2UCuO6 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional and consists of two Ba2UCuO6 frameworks. Ba2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. All Ba–O bond lengths are 2.65 Å. U6+ is bonded in an octahedral geometry to six O2- atoms. There are four shorter (2.03 Å) and two longer (2.27 Å) U–O bond lengths. Cu2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.76 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ba2+ and one U6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one U6+ and one Cu2+ atom.},
doi = {10.17188/1197498},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}