U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PrSbO4 by Materials Project
Abstract
PrSbO4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pr3+ is bonded to six O2- atoms to form PrO6 octahedra that share corners with four equivalent PrO6 octahedra, corners with six equivalent SbO6 octahedra, and an edgeedge with one SbO6 octahedra. The corner-sharing octahedra tilt angles range from 47–62°. There are a spread of Pr–O bond distances ranging from 2.40–2.48 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six equivalent PrO6 octahedra, an edgeedge with one PrO6 octahedra, and edges with two equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 47–62°. There are a spread of Sb–O bond distances ranging from 1.96–2.08 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Pr3+ and two equivalent Sb5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Pr3+ and one Sb5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Pr3+ and two equivalent Sb5+ atoms. In the fourth O2- site, O2- is bondedmore »
- Publication Date:
- Other Number(s):
- mp-1205344
- 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-Pr-Sb; PrSbO4; crystal structure
- OSTI Identifier:
- 1718744
- DOI:
- https://doi.org/10.17188/1718744
Citation Formats
Materials Data on PrSbO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1718744.
Materials Data on PrSbO4 by Materials Project. United States. doi:https://doi.org/10.17188/1718744
2020.
"Materials Data on PrSbO4 by Materials Project". United States. doi:https://doi.org/10.17188/1718744. https://www.osti.gov/servlets/purl/1718744. Pub date:Tue May 05 04:00:00 UTC 2020
@article{osti_1718744,
title = {Materials Data on PrSbO4 by Materials Project},
abstractNote = {PrSbO4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pr3+ is bonded to six O2- atoms to form PrO6 octahedra that share corners with four equivalent PrO6 octahedra, corners with six equivalent SbO6 octahedra, and an edgeedge with one SbO6 octahedra. The corner-sharing octahedra tilt angles range from 47–62°. There are a spread of Pr–O bond distances ranging from 2.40–2.48 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six equivalent PrO6 octahedra, an edgeedge with one PrO6 octahedra, and edges with two equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 47–62°. There are a spread of Sb–O bond distances ranging from 1.96–2.08 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Pr3+ and two equivalent Sb5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Pr3+ and one Sb5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Pr3+ and two equivalent Sb5+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Pr3+ and one Sb5+ atom.},
doi = {10.17188/1718744},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}