DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Ba2DyUO6 by Materials Project

Abstract

Ba2UDyO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent UO6 octahedra, and faces with four equivalent DyO6 octahedra. All Ba–O bond lengths are 3.11 Å. U5+ is bonded to six equivalent O2- atoms to form UO6 octahedra that share corners with six equivalent DyO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All U–O bond lengths are 2.15 Å. Dy3+ is bonded to six equivalent O2- atoms to form DyO6 octahedra that share corners with six equivalent UO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Dy–O bond lengths are 2.25 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one U5+, and one Dy3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1205693
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; Ba2DyUO6; Ba-Dy-O-U
OSTI Identifier:
1738465
DOI:
https://doi.org/10.17188/1738465

Citation Formats

The Materials Project. Materials Data on Ba2DyUO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738465.
The Materials Project. Materials Data on Ba2DyUO6 by Materials Project. United States. doi:https://doi.org/10.17188/1738465
The Materials Project. 2020. "Materials Data on Ba2DyUO6 by Materials Project". United States. doi:https://doi.org/10.17188/1738465. https://www.osti.gov/servlets/purl/1738465. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1738465,
title = {Materials Data on Ba2DyUO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2UDyO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent UO6 octahedra, and faces with four equivalent DyO6 octahedra. All Ba–O bond lengths are 3.11 Å. U5+ is bonded to six equivalent O2- atoms to form UO6 octahedra that share corners with six equivalent DyO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All U–O bond lengths are 2.15 Å. Dy3+ is bonded to six equivalent O2- atoms to form DyO6 octahedra that share corners with six equivalent UO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Dy–O bond lengths are 2.25 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one U5+, and one Dy3+ atom.},
doi = {10.17188/1738465},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}