Materials Data on PrO2 by Materials Project
Abstract
PrO2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr4+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pr–O bond distances ranging from 2.38–2.85 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to five equivalent Pr4+ atoms. In the second O2- site, O2- is bonded to four equivalent Pr4+ atoms to form a mixture of edge and corner-sharing OPr4 tetrahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1101864
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; PrO2; O-Pr
- OSTI Identifier:
- 1739393
- DOI:
- https://doi.org/10.17188/1739393
Citation Formats
The Materials Project. Materials Data on PrO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1739393.
The Materials Project. Materials Data on PrO2 by Materials Project. United States. doi:https://doi.org/10.17188/1739393
The Materials Project. 2020.
"Materials Data on PrO2 by Materials Project". United States. doi:https://doi.org/10.17188/1739393. https://www.osti.gov/servlets/purl/1739393. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1739393,
title = {Materials Data on PrO2 by Materials Project},
author = {The Materials Project},
abstractNote = {PrO2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr4+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pr–O bond distances ranging from 2.38–2.85 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to five equivalent Pr4+ atoms. In the second O2- site, O2- is bonded to four equivalent Pr4+ atoms to form a mixture of edge and corner-sharing OPr4 tetrahedra.},
doi = {10.17188/1739393},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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