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Title: Materials Data on CdCu2(SO4)2 by Materials Project

Abstract

Cu2Cd(SO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cu1+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Cu–O bond distances ranging from 1.93–2.18 Å. Cd2+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Cd–O bond distances ranging from 2.11–2.52 Å. S6+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.51 Å) and one longer (1.52 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cd2+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cu1+ and one S6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Cu1+, one Cd2+, and one S6+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Cu1+, one Cd2+, and one S6+ atom.

Publication Date:
Other Number(s):
mp-1214264
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; CdCu2(SO4)2; Cd-Cu-O-S
OSTI Identifier:
1707387
DOI:
https://doi.org/10.17188/1707387

Citation Formats

The Materials Project. Materials Data on CdCu2(SO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1707387.
The Materials Project. Materials Data on CdCu2(SO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1707387
The Materials Project. 2020. "Materials Data on CdCu2(SO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1707387. https://www.osti.gov/servlets/purl/1707387. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1707387,
title = {Materials Data on CdCu2(SO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu2Cd(SO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cu1+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Cu–O bond distances ranging from 1.93–2.18 Å. Cd2+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Cd–O bond distances ranging from 2.11–2.52 Å. S6+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.51 Å) and one longer (1.52 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cd2+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cu1+ and one S6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Cu1+, one Cd2+, and one S6+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Cu1+, one Cd2+, and one S6+ atom.},
doi = {10.17188/1707387},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}