U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CuBH4ClO4 by Materials Project
Abstract
CuBH4O4Cl crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. Cu2+ is bonded in a distorted square co-planar geometry to four equivalent O2- and two equivalent Cl1- atoms. All Cu–O bond lengths are 1.98 Å. There are one shorter (2.70 Å) and one longer (3.08 Å) Cu–Cl bond lengths. B3+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All B–O bond lengths are 1.48 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a 3-coordinate geometry to one Cu2+, one B3+, and one H1+ atom. Cl1- is bonded in a distorted linear geometry to two equivalent Cu2+ atoms.
- Publication Date:
- Other Number(s):
- mp-1191142
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; B-Cl-Cu-H-O; CuBH4ClO4; crystal structure
- OSTI Identifier:
- 1681673
- DOI:
- https://doi.org/10.17188/1681673
Citation Formats
Materials Data on CuBH4ClO4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1681673.
Materials Data on CuBH4ClO4 by Materials Project. United States. doi:https://doi.org/10.17188/1681673
2019.
"Materials Data on CuBH4ClO4 by Materials Project". United States. doi:https://doi.org/10.17188/1681673. https://www.osti.gov/servlets/purl/1681673. Pub date:Thu Jan 10 23:00:00 EST 2019
@article{osti_1681673,
title = {Materials Data on CuBH4ClO4 by Materials Project},
abstractNote = {CuBH4O4Cl crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. Cu2+ is bonded in a distorted square co-planar geometry to four equivalent O2- and two equivalent Cl1- atoms. All Cu–O bond lengths are 1.98 Å. There are one shorter (2.70 Å) and one longer (3.08 Å) Cu–Cl bond lengths. B3+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All B–O bond lengths are 1.48 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a 3-coordinate geometry to one Cu2+, one B3+, and one H1+ atom. Cl1- is bonded in a distorted linear geometry to two equivalent Cu2+ atoms.},
doi = {10.17188/1681673},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}
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