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Title: Materials Data on Zn4SO14 by Materials Project

Abstract

(Zn4O9)2(SO4)2O2 crystallizes in the trigonal P-3 space group. The structure is two-dimensional and consists of one oxygen molecule; two sulfuric acid molecules; and one Zn4O9 sheet oriented in the (0, 0, 1) direction. In the Zn4O9 sheet, there are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted octahedral geometry to six O atoms. There are three shorter (1.98 Å) and three longer (2.05 Å) Zn–O bond lengths. In the second Zn site, Zn is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Zn–O bond distances ranging from 1.96–2.09 Å. There are three inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three Zn atoms. In the second O site, O is bonded in a trigonal non-coplanar geometry to three equivalent Zn atoms. In the third O site, O is bonded in a single-bond geometry to one Zn atom.

Publication Date:
Other Number(s):
mp-1207877
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Zn4SO14; O-S-Zn
OSTI Identifier:
1681008
DOI:
https://doi.org/10.17188/1681008

Citation Formats

The Materials Project. Materials Data on Zn4SO14 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1681008.
The Materials Project. Materials Data on Zn4SO14 by Materials Project. United States. doi:https://doi.org/10.17188/1681008
The Materials Project. 2019. "Materials Data on Zn4SO14 by Materials Project". United States. doi:https://doi.org/10.17188/1681008. https://www.osti.gov/servlets/purl/1681008. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1681008,
title = {Materials Data on Zn4SO14 by Materials Project},
author = {The Materials Project},
abstractNote = {(Zn4O9)2(SO4)2O2 crystallizes in the trigonal P-3 space group. The structure is two-dimensional and consists of one oxygen molecule; two sulfuric acid molecules; and one Zn4O9 sheet oriented in the (0, 0, 1) direction. In the Zn4O9 sheet, there are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted octahedral geometry to six O atoms. There are three shorter (1.98 Å) and three longer (2.05 Å) Zn–O bond lengths. In the second Zn site, Zn is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Zn–O bond distances ranging from 1.96–2.09 Å. There are three inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three Zn atoms. In the second O site, O is bonded in a trigonal non-coplanar geometry to three equivalent Zn atoms. In the third O site, O is bonded in a single-bond geometry to one Zn atom.},
doi = {10.17188/1681008},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}