U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZnH2SeO4 by Materials Project
Abstract
ZnH2SeO4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two ZnH2SeO4 sheets oriented in the (0, 1, 0) direction. Zn2+ is bonded to six O2- atoms to form corner-sharing ZnO6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are a spread of Zn–O bond distances ranging from 2.06–2.37 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.70–1.77 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Zn2+ and one Se4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Zn2+ and one Se4+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Zn2+ and one Se4+more »
- Publication Date:
- Other Number(s):
- mp-24591
- 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; H-O-Se-Zn; ZnH2SeO4; crystal structure
- OSTI Identifier:
- 1200155
- DOI:
- https://doi.org/10.17188/1200155
Citation Formats
Materials Data on ZnH2SeO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1200155.
Materials Data on ZnH2SeO4 by Materials Project. United States. doi:https://doi.org/10.17188/1200155
2020.
"Materials Data on ZnH2SeO4 by Materials Project". United States. doi:https://doi.org/10.17188/1200155. https://www.osti.gov/servlets/purl/1200155. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1200155,
title = {Materials Data on ZnH2SeO4 by Materials Project},
abstractNote = {ZnH2SeO4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two ZnH2SeO4 sheets oriented in the (0, 1, 0) direction. Zn2+ is bonded to six O2- atoms to form corner-sharing ZnO6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are a spread of Zn–O bond distances ranging from 2.06–2.37 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.70–1.77 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Zn2+ and one Se4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Zn2+ and one Se4+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Zn2+ and one Se4+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one Zn2+ and two H1+ atoms.},
doi = {10.17188/1200155},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}