U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PrYO2 by Materials Project
Abstract
PrYO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr is bonded to six equivalent O atoms to form PrO6 octahedra that share corners with six equivalent YO6 octahedra, edges with six equivalent PrO6 octahedra, and edges with six equivalent YO6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Pr–O bond lengths are 2.69 Å. Y is bonded to six equivalent O atoms to form YO6 octahedra that share corners with six equivalent PrO6 octahedra, edges with six equivalent PrO6 octahedra, and edges with six equivalent YO6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Y–O bond lengths are 2.33 Å. O is bonded to three equivalent Pr and three equivalent Y atoms to form a mixture of corner and edge-sharing OPr3Y3 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-753298
- 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; O-Pr-Y; PrYO2; crystal structure
- OSTI Identifier:
- 1288967
- DOI:
- https://doi.org/10.17188/1288967
Citation Formats
Materials Data on PrYO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1288967.
Materials Data on PrYO2 by Materials Project. United States. doi:https://doi.org/10.17188/1288967
2020.
"Materials Data on PrYO2 by Materials Project". United States. doi:https://doi.org/10.17188/1288967. https://www.osti.gov/servlets/purl/1288967. Pub date:Fri Jul 24 04:00:00 UTC 2020
@article{osti_1288967,
title = {Materials Data on PrYO2 by Materials Project},
abstractNote = {PrYO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr is bonded to six equivalent O atoms to form PrO6 octahedra that share corners with six equivalent YO6 octahedra, edges with six equivalent PrO6 octahedra, and edges with six equivalent YO6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Pr–O bond lengths are 2.69 Å. Y is bonded to six equivalent O atoms to form YO6 octahedra that share corners with six equivalent PrO6 octahedra, edges with six equivalent PrO6 octahedra, and edges with six equivalent YO6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Y–O bond lengths are 2.33 Å. O is bonded to three equivalent Pr and three equivalent Y atoms to form a mixture of corner and edge-sharing OPr3Y3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1288967},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}