U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PrBrO2 by Materials Project
Abstract
PrO2Br crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to seven O and three equivalent Br atoms. There are a spread of Pr–O bond distances ranging from 2.42–2.76 Å. There are one shorter (3.06 Å) and two longer (3.22 Å) Pr–Br bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to four equivalent Pr and one O atom. The O–O bond length is 1.50 Å. In the second O site, O is bonded to three equivalent Pr and one O atom to form a mixture of edge and corner-sharing OPr3O trigonal pyramids. Br is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pr atoms.
- Publication Date:
- Other Number(s):
- mp-1025461
- 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; Br-O-Pr; PrBrO2; crystal structure
- OSTI Identifier:
- 1355255
- DOI:
- https://doi.org/10.17188/1355255
Citation Formats
Materials Data on PrBrO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355255.
Materials Data on PrBrO2 by Materials Project. United States. doi:https://doi.org/10.17188/1355255
2020.
"Materials Data on PrBrO2 by Materials Project". United States. doi:https://doi.org/10.17188/1355255. https://www.osti.gov/servlets/purl/1355255. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1355255,
title = {Materials Data on PrBrO2 by Materials Project},
abstractNote = {PrO2Br crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to seven O and three equivalent Br atoms. There are a spread of Pr–O bond distances ranging from 2.42–2.76 Å. There are one shorter (3.06 Å) and two longer (3.22 Å) Pr–Br bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to four equivalent Pr and one O atom. The O–O bond length is 1.50 Å. In the second O site, O is bonded to three equivalent Pr and one O atom to form a mixture of edge and corner-sharing OPr3O trigonal pyramids. Br is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pr atoms.},
doi = {10.17188/1355255},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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