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Title: Materials Data on Sr2Cu(IO)2 by Materials Project

Abstract

Sr2Cu(OI)2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two Sr2Cu(OI)2 sheets oriented in the (0, 0, 1) direction. Sr2+ is bonded in a 8-coordinate geometry to four equivalent O2- and four equivalent I1- atoms. All Sr–O bond lengths are 2.64 Å. All Sr–I bond lengths are 3.37 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- and two equivalent I1- atoms. All Cu–O bond lengths are 2.03 Å. Both Cu–I bond lengths are 3.44 Å. O2- is bonded to four equivalent Sr2+ and two equivalent Cu2+ atoms to form a mixture of edge, face, and corner-sharing OSr4Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°. I1- is bonded in a 5-coordinate geometry to four equivalent Sr2+ and one Cu2+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-549487
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; Sr2Cu(IO)2; Cu-I-O-Sr
OSTI Identifier:
1267379
DOI:
10.17188/1267379

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Sr2Cu(IO)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267379.
Persson, Kristin, & Project, Materials. Materials Data on Sr2Cu(IO)2 by Materials Project. United States. doi:10.17188/1267379.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Sr2Cu(IO)2 by Materials Project". United States. doi:10.17188/1267379. https://www.osti.gov/servlets/purl/1267379. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1267379,
title = {Materials Data on Sr2Cu(IO)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Sr2Cu(OI)2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two Sr2Cu(OI)2 sheets oriented in the (0, 0, 1) direction. Sr2+ is bonded in a 8-coordinate geometry to four equivalent O2- and four equivalent I1- atoms. All Sr–O bond lengths are 2.64 Å. All Sr–I bond lengths are 3.37 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- and two equivalent I1- atoms. All Cu–O bond lengths are 2.03 Å. Both Cu–I bond lengths are 3.44 Å. O2- is bonded to four equivalent Sr2+ and two equivalent Cu2+ atoms to form a mixture of edge, face, and corner-sharing OSr4Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°. I1- is bonded in a 5-coordinate geometry to four equivalent Sr2+ and one Cu2+ atom.},
doi = {10.17188/1267379},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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