U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cu2H12C4Br3N by Materials Project
Abstract
Cu2Br3N(CH3)4 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four tetramethylammonium molecules and two Cu2Br3 ribbons oriented in the (1, 0, 0) direction. In each Cu2Br3 ribbon, Cu1+ is bonded to four Br1- atoms to form a mixture of distorted edge and corner-sharing CuBr4 tetrahedra. There are a spread of Cu–Br bond distances ranging from 2.44–2.62 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Cu1+ atoms. In the second Br1- site, Br1- is bonded in a 4-coordinate geometry to four equivalent Cu1+ atoms. In the third Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Cu1+ atoms.
- Publication Date:
- Other Number(s):
- mp-1202278
- 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; Br-C-Cu-H-N; Cu2H12C4Br3N; crystal structure
- OSTI Identifier:
- 1695360
- DOI:
- https://doi.org/10.17188/1695360
Citation Formats
Materials Data on Cu2H12C4Br3N by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1695360.
Materials Data on Cu2H12C4Br3N by Materials Project. United States. doi:https://doi.org/10.17188/1695360
2020.
"Materials Data on Cu2H12C4Br3N by Materials Project". United States. doi:https://doi.org/10.17188/1695360. https://www.osti.gov/servlets/purl/1695360. Pub date:Wed Apr 29 04:00:00 UTC 2020
@article{osti_1695360,
title = {Materials Data on Cu2H12C4Br3N by Materials Project},
abstractNote = {Cu2Br3N(CH3)4 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four tetramethylammonium molecules and two Cu2Br3 ribbons oriented in the (1, 0, 0) direction. In each Cu2Br3 ribbon, Cu1+ is bonded to four Br1- atoms to form a mixture of distorted edge and corner-sharing CuBr4 tetrahedra. There are a spread of Cu–Br bond distances ranging from 2.44–2.62 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Cu1+ atoms. In the second Br1- site, Br1- is bonded in a 4-coordinate geometry to four equivalent Cu1+ atoms. In the third Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Cu1+ atoms.},
doi = {10.17188/1695360},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
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