Materials Data on ZnSO4 by Materials Project
Abstract
ZnSO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six equivalent SO4 tetrahedra and edges with two equivalent ZnO6 octahedra. There are a spread of Zn–O bond distances ranging from 1.99–2.33 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with six equivalent ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 43–54°. There are a spread of S–O bond distances ranging from 1.48–1.52 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Zn2+ and one S6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Zn2+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Zn2+ and one S6+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-5126
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; ZnSO4; O-S-Zn
- OSTI Identifier:
- 1263091
- DOI:
- https://doi.org/10.17188/1263091
Citation Formats
The Materials Project. Materials Data on ZnSO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1263091.
The Materials Project. Materials Data on ZnSO4 by Materials Project. United States. doi:https://doi.org/10.17188/1263091
The Materials Project. 2020.
"Materials Data on ZnSO4 by Materials Project". United States. doi:https://doi.org/10.17188/1263091. https://www.osti.gov/servlets/purl/1263091. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1263091,
title = {Materials Data on ZnSO4 by Materials Project},
author = {The Materials Project},
abstractNote = {ZnSO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six equivalent SO4 tetrahedra and edges with two equivalent ZnO6 octahedra. There are a spread of Zn–O bond distances ranging from 1.99–2.33 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with six equivalent ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 43–54°. There are a spread of S–O bond distances ranging from 1.48–1.52 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Zn2+ and one S6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Zn2+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Zn2+ and one S6+ atom.},
doi = {10.17188/1263091},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}