U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PrPO4 by Materials Project
Abstract
PrPO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pr3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pr–O bond distances ranging from 2.47–2.80 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.55 Å) and one longer (1.57 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pr3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pr3+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pr3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Pr3+ and one P5+ atom.
- Publication Date:
- Other Number(s):
- mp-4589
- 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-P-Pr; PrPO4; crystal structure
- OSTI Identifier:
- 1208272
- DOI:
- https://doi.org/10.17188/1208272
Citation Formats
Materials Data on PrPO4 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1208272.
Materials Data on PrPO4 by Materials Project. United States. doi:https://doi.org/10.17188/1208272
2017.
"Materials Data on PrPO4 by Materials Project". United States. doi:https://doi.org/10.17188/1208272. https://www.osti.gov/servlets/purl/1208272. Pub date:Wed May 10 04:00:00 UTC 2017
@article{osti_1208272,
title = {Materials Data on PrPO4 by Materials Project},
abstractNote = {PrPO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pr3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pr–O bond distances ranging from 2.47–2.80 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.55 Å) and one longer (1.57 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pr3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pr3+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pr3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Pr3+ and one P5+ atom.},
doi = {10.17188/1208272},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}