U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PrMoO5 by Materials Project
Abstract
PrMoO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pr4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.40–2.59 Å. Mo6+ is bonded in a distorted tetrahedral geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.77–2.44 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pr4+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pr4+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pr4+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a distorted linear geometry to one Pr4+ and one Mo6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pr4+ and one Mo6+ atom.
- Publication Date:
- Other Number(s):
- mp-1209482
- 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; Mo-O-Pr; PrMoO5; crystal structure
- OSTI Identifier:
- 1699252
- DOI:
- https://doi.org/10.17188/1699252
Citation Formats
Materials Data on PrMoO5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1699252.
Materials Data on PrMoO5 by Materials Project. United States. doi:https://doi.org/10.17188/1699252
2020.
"Materials Data on PrMoO5 by Materials Project". United States. doi:https://doi.org/10.17188/1699252. https://www.osti.gov/servlets/purl/1699252. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1699252,
title = {Materials Data on PrMoO5 by Materials Project},
abstractNote = {PrMoO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pr4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.40–2.59 Å. Mo6+ is bonded in a distorted tetrahedral geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.77–2.44 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pr4+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pr4+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pr4+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a distorted linear geometry to one Pr4+ and one Mo6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pr4+ and one Mo6+ atom.},
doi = {10.17188/1699252},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}