U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZnSO5 by Materials Project
Abstract
ZnSO5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Zn sites. In the first Zn site, Zn is bonded in an octahedral geometry to six O atoms. There are four shorter (1.96 Å) and two longer (2.18 Å) Zn–O bond lengths. In the second Zn site, Zn is bonded in an octahedral geometry to six O atoms. There are a spread of Zn–O bond distances ranging from 1.93–2.26 Å. In the third Zn site, Zn is bonded in a tetrahedral geometry to four O atoms. There are a spread of Zn–O bond distances ranging from 1.98–2.03 Å. There are two inequivalent S sites. In the first S site, S is bonded in a trigonal non-coplanar geometry to three O atoms. There are a spread of S–O bond distances ranging from 1.48–1.51 Å. In the second S site, S is bonded in a trigonal non-coplanar geometry to three O atoms. There are a spread of S–O bond distances ranging from 1.50–1.52 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Zn and one S atom. In the second O site,more »
- Publication Date:
- Other Number(s):
- mp-1193924
- 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-S-Zn; ZnSO5; crystal structure
- OSTI Identifier:
- 1743744
- DOI:
- https://doi.org/10.17188/1743744
Citation Formats
Materials Data on ZnSO5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1743744.
Materials Data on ZnSO5 by Materials Project. United States. doi:https://doi.org/10.17188/1743744
2020.
"Materials Data on ZnSO5 by Materials Project". United States. doi:https://doi.org/10.17188/1743744. https://www.osti.gov/servlets/purl/1743744. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1743744,
title = {Materials Data on ZnSO5 by Materials Project},
abstractNote = {ZnSO5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Zn sites. In the first Zn site, Zn is bonded in an octahedral geometry to six O atoms. There are four shorter (1.96 Å) and two longer (2.18 Å) Zn–O bond lengths. In the second Zn site, Zn is bonded in an octahedral geometry to six O atoms. There are a spread of Zn–O bond distances ranging from 1.93–2.26 Å. In the third Zn site, Zn is bonded in a tetrahedral geometry to four O atoms. There are a spread of Zn–O bond distances ranging from 1.98–2.03 Å. There are two inequivalent S sites. In the first S site, S is bonded in a trigonal non-coplanar geometry to three O atoms. There are a spread of S–O bond distances ranging from 1.48–1.51 Å. In the second S site, S is bonded in a trigonal non-coplanar geometry to three O atoms. There are a spread of S–O bond distances ranging from 1.50–1.52 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Zn and one S atom. 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 bent 150 degrees geometry to one Zn and one S atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Zn and one S atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Zn and one S atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Zn and one S atom. In the seventh O site, O is bonded in a single-bond geometry to one Zn atom. In the eighth O site, O is bonded in a single-bond geometry to one Zn atom. In the ninth O site, O is bonded in a single-bond geometry to one Zn atom. In the tenth O site, O is bonded in a single-bond geometry to one Zn atom.},
doi = {10.17188/1743744},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}