U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SrCu2(BO3)2 by Materials Project
Abstract
SrCu2(BO3)2 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Sr2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.65 Å) and four longer (2.69 Å) Sr–O bond lengths. Cu2+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There is two shorter (1.94 Å) and two longer (1.97 Å) Cu–O bond length. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.37 Å) and two longer (1.39 Å) B–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+, one Cu2+, and one B3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cu2+ and one B3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-6602
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; SrCu2(BO3)2; B-Cu-O-Sr
- OSTI Identifier:
- 1281386
- DOI:
- https://doi.org/10.17188/1281386
Citation Formats
The Materials Project. Materials Data on SrCu2(BO3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1281386.
The Materials Project. Materials Data on SrCu2(BO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1281386
The Materials Project. 2020.
"Materials Data on SrCu2(BO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1281386. https://www.osti.gov/servlets/purl/1281386. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1281386,
title = {Materials Data on SrCu2(BO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {SrCu2(BO3)2 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Sr2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.65 Å) and four longer (2.69 Å) Sr–O bond lengths. Cu2+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There is two shorter (1.94 Å) and two longer (1.97 Å) Cu–O bond length. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.37 Å) and two longer (1.39 Å) B–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+, one Cu2+, and one B3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cu2+ and one B3+ atom.},
doi = {10.17188/1281386},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 17 00:00:00 EDT 2020},
month = {Fri Jul 17 00:00:00 EDT 2020}
}