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:
- Publication Date:
- 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)
- Contributing Org.:
- MIT; UC Berkeley; Duke; U Louvain
- OSTI Identifier:
- 1267379
- Report Number(s):
- mp-549487
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Resource Type:
- Data
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; Sr2Cu(IO)2; Cu-I-O-Sr
Citation Formats
The Materials Project. Materials Data on Sr2Cu(IO)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1267379.
The Materials Project. Materials Data on Sr2Cu(IO)2 by Materials Project. United States. https://doi.org/10.17188/1267379
The Materials Project. 2020.
"Materials Data on Sr2Cu(IO)2 by Materials Project". United States. https://doi.org/10.17188/1267379. https://www.osti.gov/servlets/purl/1267379.
@article{osti_1267379,
title = {Materials Data on Sr2Cu(IO)2 by Materials Project},
author = {The Materials Project},
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},
url = {https://www.osti.gov/biblio/1267379},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}