U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Y2(SeO4)3 by Materials Project
Abstract
Y2(SeO4)3 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Y3+ is bonded to six O2- atoms to form YO6 octahedra that share corners with six SeO4 tetrahedra. There are a spread of Y–O bond distances ranging from 2.23–2.27 Å. There are two inequivalent Se6+ sites. In the first Se6+ site, Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with four equivalent YO6 octahedra. The corner-sharing octahedra tilt angles range from 17–29°. All Se–O bond lengths are 1.66 Å. In the second Se6+ site, Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with four equivalent YO6 octahedra. The corner-sharing octahedra tilt angles range from 3–38°. All Se–O bond lengths are 1.66 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Y3+ and one Se6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Y3+ and one Se6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Y3+ and one Se6+ atom. In the fourth O2- site, O2- is bonded inmore »
- Publication Date:
- Other Number(s):
- mp-769147
- 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-Se-Y; Y2(SeO4)3; crystal structure
- OSTI Identifier:
- 1298654
- DOI:
- https://doi.org/10.17188/1298654
Citation Formats
Materials Data on Y2(SeO4)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1298654.
Materials Data on Y2(SeO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1298654
2020.
"Materials Data on Y2(SeO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1298654. https://www.osti.gov/servlets/purl/1298654. Pub date:Wed Apr 29 04:00:00 UTC 2020
@article{osti_1298654,
title = {Materials Data on Y2(SeO4)3 by Materials Project},
abstractNote = {Y2(SeO4)3 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Y3+ is bonded to six O2- atoms to form YO6 octahedra that share corners with six SeO4 tetrahedra. There are a spread of Y–O bond distances ranging from 2.23–2.27 Å. There are two inequivalent Se6+ sites. In the first Se6+ site, Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with four equivalent YO6 octahedra. The corner-sharing octahedra tilt angles range from 17–29°. All Se–O bond lengths are 1.66 Å. In the second Se6+ site, Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with four equivalent YO6 octahedra. The corner-sharing octahedra tilt angles range from 3–38°. All Se–O bond lengths are 1.66 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Y3+ and one Se6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Y3+ and one Se6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Y3+ and one Se6+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Y3+ and one Se6+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Y3+ and one Se6+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Y3+ and one Se6+ atom.},
doi = {10.17188/1298654},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 04:00:00 UTC 2020},
month = {Wed Apr 29 04:00:00 UTC 2020}
}