U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sc2(WO4)3 by Materials Project
Abstract
Sc2(WO4)3 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Sc3+ is bonded to six O2- atoms to form ScO6 octahedra that share corners with eight WO6 octahedra and an edgeedge with one ScO6 octahedra. The corner-sharing octahedra tilt angles range from 37–57°. There are a spread of Sc–O bond distances ranging from 2.06–2.24 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with five equivalent ScO6 octahedra and edges with two WO6 octahedra. The corner-sharing octahedra tilt angles range from 47–57°. There are a spread of W–O bond distances ranging from 1.82–2.15 Å. In the second W6+ site, W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with six equivalent ScO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 37–51°. There are a spread of W–O bond distances ranging from 1.81–2.15 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a distortedmore »
- Publication Date:
- Other Number(s):
- mp-1219450
- 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-Sc-W; Sc2(WO4)3; crystal structure
- OSTI Identifier:
- 1678188
- DOI:
- https://doi.org/10.17188/1678188
Citation Formats
Materials Data on Sc2(WO4)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1678188.
Materials Data on Sc2(WO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1678188
2020.
"Materials Data on Sc2(WO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1678188. https://www.osti.gov/servlets/purl/1678188. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1678188,
title = {Materials Data on Sc2(WO4)3 by Materials Project},
abstractNote = {Sc2(WO4)3 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Sc3+ is bonded to six O2- atoms to form ScO6 octahedra that share corners with eight WO6 octahedra and an edgeedge with one ScO6 octahedra. The corner-sharing octahedra tilt angles range from 37–57°. There are a spread of Sc–O bond distances ranging from 2.06–2.24 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with five equivalent ScO6 octahedra and edges with two WO6 octahedra. The corner-sharing octahedra tilt angles range from 47–57°. There are a spread of W–O bond distances ranging from 1.82–2.15 Å. In the second W6+ site, W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with six equivalent ScO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 37–51°. There are a spread of W–O bond distances ranging from 1.81–2.15 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sc3+ and two W6+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sc3+ and two W6+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Sc3+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sc3+ and one W6+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Sc3+ and one W6+ atom.},
doi = {10.17188/1678188},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 04:00:00 UTC 2020},
month = {Sun May 03 04:00:00 UTC 2020}
}