U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZnSeO3 by Materials Project
Abstract
ZnSeO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zn2+ is bonded to six O2- atoms to form corner-sharing ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 50–56°. There are a spread of Zn–O bond distances ranging from 2.08–2.28 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.75 Å) and two longer (1.76 Å) Se–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Zn2+ and one Se4+ atom. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Zn2+ and one Se4+ atom.
- Publication Date:
- Other Number(s):
- mp-4682
- 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-Zn; ZnSeO3; crystal structure
- OSTI Identifier:
- 1208337
- DOI:
- https://doi.org/10.17188/1208337
Citation Formats
Materials Data on ZnSeO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1208337.
Materials Data on ZnSeO3 by Materials Project. United States. doi:https://doi.org/10.17188/1208337
2020.
"Materials Data on ZnSeO3 by Materials Project". United States. doi:https://doi.org/10.17188/1208337. https://www.osti.gov/servlets/purl/1208337. Pub date:Tue Jul 14 04:00:00 UTC 2020
@article{osti_1208337,
title = {Materials Data on ZnSeO3 by Materials Project},
abstractNote = {ZnSeO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zn2+ is bonded to six O2- atoms to form corner-sharing ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 50–56°. There are a spread of Zn–O bond distances ranging from 2.08–2.28 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.75 Å) and two longer (1.76 Å) Se–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Zn2+ and one Se4+ atom. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Zn2+ and one Se4+ atom.},
doi = {10.17188/1208337},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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