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Title: Materials Data on ZnSO5 by Materials Project

Abstract

ZnSO5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Zn is bonded to six O atoms to form ZnO6 octahedra that share corners with two equivalent ZnO6 octahedra and corners with four equivalent SO4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are two shorter (2.04 Å) and four longer (2.10 Å) Zn–O bond lengths. S is bonded to four O atoms to form SO4 tetrahedra that share corners with four equivalent ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 41–49°. There is two shorter (1.48 Å) and two longer (1.49 Å) S–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent Zn atoms. In the second O site, O is bonded in a bent 120 degrees geometry to one Zn and one S atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Zn and one S atom.

Authors:
Publication Date:
Other Number(s):
mp-1103890
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; ZnSO5; O-S-Zn
OSTI Identifier:
1714765
DOI:
https://doi.org/10.17188/1714765

Citation Formats

The Materials Project. Materials Data on ZnSO5 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1714765.
The Materials Project. Materials Data on ZnSO5 by Materials Project. United States. doi:https://doi.org/10.17188/1714765
The Materials Project. 2019. "Materials Data on ZnSO5 by Materials Project". United States. doi:https://doi.org/10.17188/1714765. https://www.osti.gov/servlets/purl/1714765. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1714765,
title = {Materials Data on ZnSO5 by Materials Project},
author = {The Materials Project},
abstractNote = {ZnSO5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Zn is bonded to six O atoms to form ZnO6 octahedra that share corners with two equivalent ZnO6 octahedra and corners with four equivalent SO4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are two shorter (2.04 Å) and four longer (2.10 Å) Zn–O bond lengths. S is bonded to four O atoms to form SO4 tetrahedra that share corners with four equivalent ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 41–49°. There is two shorter (1.48 Å) and two longer (1.49 Å) S–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent Zn atoms. In the second O site, O is bonded in a bent 120 degrees geometry to one Zn and one S atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Zn and one S atom.},
doi = {10.17188/1714765},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}