U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CdCBr3N by Materials Project
Abstract
CdBr3CN crystallizes in the orthorhombic Cmc2_1 space group. The structure is one-dimensional and consists of four hydrogen cyanide molecules and two CdBr3 ribbons oriented in the (0, 0, 1) direction. In each CdBr3 ribbon, Cd2+ is bonded to six Br1- atoms to form face-sharing CdBr6 octahedra. There are a spread of Cd–Br bond distances ranging from 2.80–2.82 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Cd2+ atoms. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Cd2+ atoms.
- Publication Date:
- Other Number(s):
- mp-1102642
- 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-Cd-N; CdCBr3N; crystal structure
- OSTI Identifier:
- 1652874
- DOI:
- https://doi.org/10.17188/1652874
Citation Formats
Materials Data on CdCBr3N by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1652874.
Materials Data on CdCBr3N by Materials Project. United States. doi:https://doi.org/10.17188/1652874
2020.
"Materials Data on CdCBr3N by Materials Project". United States. doi:https://doi.org/10.17188/1652874. https://www.osti.gov/servlets/purl/1652874. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1652874,
title = {Materials Data on CdCBr3N by Materials Project},
abstractNote = {CdBr3CN crystallizes in the orthorhombic Cmc2_1 space group. The structure is one-dimensional and consists of four hydrogen cyanide molecules and two CdBr3 ribbons oriented in the (0, 0, 1) direction. In each CdBr3 ribbon, Cd2+ is bonded to six Br1- atoms to form face-sharing CdBr6 octahedra. There are a spread of Cd–Br bond distances ranging from 2.80–2.82 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Cd2+ atoms. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Cd2+ atoms.},
doi = {10.17188/1652874},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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