Title: Materials Data on BaYb2O4 by Materials Project

Abstract

BaYb2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ba2+ is bonded to four equivalent O2- atoms to form BaO4 tetrahedra that share corners with twelve equivalent YbO6 octahedra. The corner-sharing octahedra tilt angles range from 58–64°. All Ba–O bond lengths are 2.52 Å. Yb3+ is bonded to six equivalent O2- atoms to form YbO6 octahedra that share corners with six equivalent BaO4 tetrahedra and edges with six equivalent YbO6 octahedra. All Yb–O bond lengths are 2.33 Å. O2- is bonded to one Ba2+ and three equivalent Yb3+ atoms to form a mixture of distorted edge and corner-sharing OBaYb3 tetrahedra.

Publication Date:
Other Number(s):
mp-754383
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; Ba-O-Yb; BaYb2O4; crystal structure
OSTI Identifier:
1289406
DOI:
https://doi.org/10.17188/1289406

Citation Formats

Materials Data on BaYb2O4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289406.
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Materials Data on BaYb2O4 by Materials Project. United States. doi:https://doi.org/10.17188/1289406
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2020. "Materials Data on BaYb2O4 by Materials Project". United States. doi:https://doi.org/10.17188/1289406. https://www.osti.gov/servlets/purl/1289406. Pub date:Tue Jul 21 20:00:00 EDT 2020
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@article{osti_1289406,
title = {Materials Data on BaYb2O4 by Materials Project},
abstractNote = {BaYb2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ba2+ is bonded to four equivalent O2- atoms to form BaO4 tetrahedra that share corners with twelve equivalent YbO6 octahedra. The corner-sharing octahedra tilt angles range from 58–64°. All Ba–O bond lengths are 2.52 Å. Yb3+ is bonded to six equivalent O2- atoms to form YbO6 octahedra that share corners with six equivalent BaO4 tetrahedra and edges with six equivalent YbO6 octahedra. All Yb–O bond lengths are 2.33 Å. O2- is bonded to one Ba2+ and three equivalent Yb3+ atoms to form a mixture of distorted edge and corner-sharing OBaYb3 tetrahedra.},
doi = {10.17188/1289406},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1289406
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