U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PrBeO3 by Materials Project
Abstract
BePrO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Be2+ is bonded to six equivalent O2- atoms to form BeO6 octahedra that share corners with six equivalent BeO6 octahedra and faces with eight equivalent PrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Be–O bond lengths are 1.84 Å. Pr4+ is bonded to twelve equivalent O2- atoms to form PrO12 cuboctahedra that share corners with twelve equivalent PrO12 cuboctahedra, faces with six equivalent PrO12 cuboctahedra, and faces with eight equivalent BeO6 octahedra. All Pr–O bond lengths are 2.60 Å. O2- is bonded in a distorted linear geometry to two equivalent Be2+ and four equivalent Pr4+ atoms.
- Publication Date:
- Other Number(s):
- mp-1186742
- 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; Be-O-Pr; PrBeO3; crystal structure
- OSTI Identifier:
- 1709518
- DOI:
- https://doi.org/10.17188/1709518
Citation Formats
Materials Data on PrBeO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1709518.
Materials Data on PrBeO3 by Materials Project. United States. doi:https://doi.org/10.17188/1709518
2020.
"Materials Data on PrBeO3 by Materials Project". United States. doi:https://doi.org/10.17188/1709518. https://www.osti.gov/servlets/purl/1709518. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1709518,
title = {Materials Data on PrBeO3 by Materials Project},
abstractNote = {BePrO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Be2+ is bonded to six equivalent O2- atoms to form BeO6 octahedra that share corners with six equivalent BeO6 octahedra and faces with eight equivalent PrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Be–O bond lengths are 1.84 Å. Pr4+ is bonded to twelve equivalent O2- atoms to form PrO12 cuboctahedra that share corners with twelve equivalent PrO12 cuboctahedra, faces with six equivalent PrO12 cuboctahedra, and faces with eight equivalent BeO6 octahedra. All Pr–O bond lengths are 2.60 Å. O2- is bonded in a distorted linear geometry to two equivalent Be2+ and four equivalent Pr4+ atoms.},
doi = {10.17188/1709518},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}