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Title: Materials Data on CuSO4 by Materials Project

Abstract

CuSO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with six equivalent SO4 tetrahedra and edges with two equivalent CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.95–2.43 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with six equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 44–57°. There are a spread of S–O bond distances ranging from 1.46–1.55 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cu2+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cu2+ and one S6+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Cu2+ and one S6+ atom.

Publication Date:
Other Number(s):
mp-20525
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; CuSO4; Cu-O-S
OSTI Identifier:
1195658
DOI:
https://doi.org/10.17188/1195658

Citation Formats

The Materials Project. Materials Data on CuSO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195658.
The Materials Project. Materials Data on CuSO4 by Materials Project. United States. doi:https://doi.org/10.17188/1195658
The Materials Project. 2020. "Materials Data on CuSO4 by Materials Project". United States. doi:https://doi.org/10.17188/1195658. https://www.osti.gov/servlets/purl/1195658. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1195658,
title = {Materials Data on CuSO4 by Materials Project},
author = {The Materials Project},
abstractNote = {CuSO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with six equivalent SO4 tetrahedra and edges with two equivalent CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.95–2.43 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with six equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 44–57°. There are a spread of S–O bond distances ranging from 1.46–1.55 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cu2+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cu2+ and one S6+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Cu2+ and one S6+ atom.},
doi = {10.17188/1195658},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}