U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaLiPrTeO6 by Materials Project
Abstract
LiBaPrTeO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with six equivalent TeO6 octahedra, faces with four equivalent BaO12 cuboctahedra, and faces with four equivalent PrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–O bond lengths are 2.09 Å. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent PrO12 cuboctahedra, faces with four equivalent LiO6 octahedra, and faces with four equivalent TeO6 octahedra. All Ba–O bond lengths are 2.85 Å. Pr3+ is bonded to twelve equivalent O2- atoms to form PrO12 cuboctahedra that share corners with twelve equivalent PrO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent LiO6 octahedra, and faces with four equivalent TeO6 octahedra. All Pr–O bond lengths are 2.85 Å. Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent LiO6 octahedra, faces with four equivalent BaO12 cuboctahedra, and faces with four equivalent PrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Te–O bond lengthsmore »
- Publication Date:
- Other Number(s):
- mp-41219
- 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-Li-O-Pr-Te; BaLiPrTeO6; crystal structure
- OSTI Identifier:
- 1207868
- DOI:
- https://doi.org/10.17188/1207868
Citation Formats
Materials Data on BaLiPrTeO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207868.
Materials Data on BaLiPrTeO6 by Materials Project. United States. doi:https://doi.org/10.17188/1207868
2020.
"Materials Data on BaLiPrTeO6 by Materials Project". United States. doi:https://doi.org/10.17188/1207868. https://www.osti.gov/servlets/purl/1207868. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1207868,
title = {Materials Data on BaLiPrTeO6 by Materials Project},
abstractNote = {LiBaPrTeO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with six equivalent TeO6 octahedra, faces with four equivalent BaO12 cuboctahedra, and faces with four equivalent PrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–O bond lengths are 2.09 Å. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent PrO12 cuboctahedra, faces with four equivalent LiO6 octahedra, and faces with four equivalent TeO6 octahedra. All Ba–O bond lengths are 2.85 Å. Pr3+ is bonded to twelve equivalent O2- atoms to form PrO12 cuboctahedra that share corners with twelve equivalent PrO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent LiO6 octahedra, and faces with four equivalent TeO6 octahedra. All Pr–O bond lengths are 2.85 Å. Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent LiO6 octahedra, faces with four equivalent BaO12 cuboctahedra, and faces with four equivalent PrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Te–O bond lengths are 1.94 Å. O2- is bonded in a distorted linear geometry to one Li1+, two equivalent Ba2+, two equivalent Pr3+, and one Te6+ atom.},
doi = {10.17188/1207868},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}