U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sb2O5 by Materials Project
Abstract
Sb2O5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with three equivalent SbO5 trigonal bipyramids, an edgeedge with one SbO6 octahedra, and an edgeedge with one SbO5 trigonal bipyramid. There are a spread of Sb–O bond distances ranging from 1.99–2.15 Å. In the second Sb5+ site, Sb5+ is bonded to five O2- atoms to form distorted SbO5 trigonal bipyramids that share corners with three equivalent SbO6 octahedra, an edgeedge with one SbO6 octahedra, and an edgeedge with one SbO5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 41–63°. There are a spread of Sb–O bond distances ranging from 1.92–2.15 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in an L-shaped geometry to two equivalent Sb5+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb5+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two Sb5+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonalmore »
- Publication Date:
- Other Number(s):
- mp-771699
- 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-Sb; Sb2O5; crystal structure
- OSTI Identifier:
- 1300773
- DOI:
- https://doi.org/10.17188/1300773
Citation Formats
Materials Data on Sb2O5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1300773.
Materials Data on Sb2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1300773
2020.
"Materials Data on Sb2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1300773. https://www.osti.gov/servlets/purl/1300773. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1300773,
title = {Materials Data on Sb2O5 by Materials Project},
abstractNote = {Sb2O5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with three equivalent SbO5 trigonal bipyramids, an edgeedge with one SbO6 octahedra, and an edgeedge with one SbO5 trigonal bipyramid. There are a spread of Sb–O bond distances ranging from 1.99–2.15 Å. In the second Sb5+ site, Sb5+ is bonded to five O2- atoms to form distorted SbO5 trigonal bipyramids that share corners with three equivalent SbO6 octahedra, an edgeedge with one SbO6 octahedra, and an edgeedge with one SbO5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 41–63°. There are a spread of Sb–O bond distances ranging from 1.92–2.15 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in an L-shaped geometry to two equivalent Sb5+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb5+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two Sb5+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sb5+ atoms. In the fifth O2- site, O2- is bonded in a water-like geometry to two Sb5+ atoms.},
doi = {10.17188/1300773},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}