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Title: Materials Data on Ba(CuO)2 by Materials Project

Abstract

BaCu2O2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing BaO6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are two shorter (2.66 Å) and four longer (2.90 Å) Ba–O bond lengths. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.85 Å. O2- is bonded to three equivalent Ba2+ and two equivalent Cu1+ atoms to form a mixture of distorted edge and corner-sharing OBa3Cu2 trigonal bipyramids.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-7374
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; Ba(CuO)2; Ba-Cu-O
OSTI Identifier:
1287871
DOI:
10.17188/1287871

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ba(CuO)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287871.
Persson, Kristin, & Project, Materials. Materials Data on Ba(CuO)2 by Materials Project. United States. doi:10.17188/1287871.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ba(CuO)2 by Materials Project". United States. doi:10.17188/1287871. https://www.osti.gov/servlets/purl/1287871. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1287871,
title = {Materials Data on Ba(CuO)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {BaCu2O2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing BaO6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are two shorter (2.66 Å) and four longer (2.90 Å) Ba–O bond lengths. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.85 Å. O2- is bonded to three equivalent Ba2+ and two equivalent Cu1+ atoms to form a mixture of distorted edge and corner-sharing OBa3Cu2 trigonal bipyramids.},
doi = {10.17188/1287871},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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