U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZnCu(SeO3)2 by Materials Project
Abstract
CuZn(SeO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with six equivalent ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 50–57°. There are a spread of Cu–O bond distances ranging from 1.99–2.44 Å. Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 50–57°. There are a spread of Zn–O bond distances ranging from 1.99–2.41 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.74 Å) and two longer (1.76 Å) Se–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Cu2+, one Zn2+, and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cu2+, one Zn2+, and one Se4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cu2+, one Zn2+, and one Se4+ atom.
- Publication Date:
- Other Number(s):
- mp-1215674
- 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; Cu-O-Se-Zn; ZnCu(SeO3)2; crystal structure
- OSTI Identifier:
- 1748385
- DOI:
- https://doi.org/10.17188/1748385
Citation Formats
Materials Data on ZnCu(SeO3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1748385.
Materials Data on ZnCu(SeO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1748385
2020.
"Materials Data on ZnCu(SeO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1748385. https://www.osti.gov/servlets/purl/1748385. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1748385,
title = {Materials Data on ZnCu(SeO3)2 by Materials Project},
abstractNote = {CuZn(SeO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with six equivalent ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 50–57°. There are a spread of Cu–O bond distances ranging from 1.99–2.44 Å. Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 50–57°. There are a spread of Zn–O bond distances ranging from 1.99–2.41 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.74 Å) and two longer (1.76 Å) Se–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Cu2+, one Zn2+, and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cu2+, one Zn2+, and one Se4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cu2+, one Zn2+, and one Se4+ atom.},
doi = {10.17188/1748385},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}