U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Pr(IO3)3 by Materials Project
Abstract
Pr(O3I)3 crystallizes in the orthorhombic Pmmn 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 2.36–2.96 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Pr3+ and one I5+ atom. The O–I bond length is 1.87 Å. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Pr3+ and two equivalent I5+ atoms. Both O–I bond lengths are 2.12 Å. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Pr3+, one O2-, and two I5+ atoms. The O–O bond length is 2.07 Å. There are one shorter (1.93 Å) and one longer (2.58 Å) O–I bond lengths. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Pr3+ and two equivalent I5+ atoms. Both O–I bond lengths are 2.57 Å. There are two inequivalent I5+ sites. In the first I5+ site, I5+ is bonded in a 6-coordinate geometry to six O2- atoms. In the second I5+ site, I5+ is bonded in a 6-coordinate geometry to fourmore »
- Publication Date:
- Other Number(s):
- mp-1193508
- 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; I-O-Pr; Pr(IO3)3; crystal structure
- OSTI Identifier:
- 1721937
- DOI:
- https://doi.org/10.17188/1721937
Citation Formats
Materials Data on Pr(IO3)3 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1721937.
Materials Data on Pr(IO3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1721937
2019.
"Materials Data on Pr(IO3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1721937. https://www.osti.gov/servlets/purl/1721937. Pub date:Fri Jan 11 04:00:00 UTC 2019
@article{osti_1721937,
title = {Materials Data on Pr(IO3)3 by Materials Project},
abstractNote = {Pr(O3I)3 crystallizes in the orthorhombic Pmmn 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 2.36–2.96 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Pr3+ and one I5+ atom. The O–I bond length is 1.87 Å. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Pr3+ and two equivalent I5+ atoms. Both O–I bond lengths are 2.12 Å. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Pr3+, one O2-, and two I5+ atoms. The O–O bond length is 2.07 Å. There are one shorter (1.93 Å) and one longer (2.58 Å) O–I bond lengths. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Pr3+ and two equivalent I5+ atoms. Both O–I bond lengths are 2.57 Å. There are two inequivalent I5+ sites. In the first I5+ site, I5+ is bonded in a 6-coordinate geometry to six O2- atoms. In the second I5+ site, I5+ is bonded in a 6-coordinate geometry to four equivalent O2- atoms.},
doi = {10.17188/1721937},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}