U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KPrO2 by Materials Project
Abstract
KPrO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent O2- atoms to form distorted KO6 octahedra that share corners with six equivalent PrO6 octahedra, edges with six equivalent KO6 octahedra, and edges with six equivalent PrO6 octahedra. The corner-sharing octahedral tilt angles are 13°. All K–O bond lengths are 2.88 Å. Pr3+ is bonded to six equivalent O2- atoms to form PrO6 octahedra that share corners with six equivalent KO6 octahedra, edges with six equivalent KO6 octahedra, and edges with six equivalent PrO6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Pr–O bond lengths are 2.45 Å. O2- is bonded to three equivalent K1+ and three equivalent Pr3+ atoms to form a mixture of edge and corner-sharing OK3Pr3 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-4519
- 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; K-O-Pr; KPrO2; crystal structure
- OSTI Identifier:
- 1208225
- DOI:
- https://doi.org/10.17188/1208225
Citation Formats
Materials Data on KPrO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1208225.
Materials Data on KPrO2 by Materials Project. United States. doi:https://doi.org/10.17188/1208225
2020.
"Materials Data on KPrO2 by Materials Project". United States. doi:https://doi.org/10.17188/1208225. https://www.osti.gov/servlets/purl/1208225. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1208225,
title = {Materials Data on KPrO2 by Materials Project},
abstractNote = {KPrO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent O2- atoms to form distorted KO6 octahedra that share corners with six equivalent PrO6 octahedra, edges with six equivalent KO6 octahedra, and edges with six equivalent PrO6 octahedra. The corner-sharing octahedral tilt angles are 13°. All K–O bond lengths are 2.88 Å. Pr3+ is bonded to six equivalent O2- atoms to form PrO6 octahedra that share corners with six equivalent KO6 octahedra, edges with six equivalent KO6 octahedra, and edges with six equivalent PrO6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Pr–O bond lengths are 2.45 Å. O2- is bonded to three equivalent K1+ and three equivalent Pr3+ atoms to form a mixture of edge and corner-sharing OK3Pr3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1208225},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}