Materials Data on CBr3F by Materials Project
Abstract
CFBr3 is beta Np structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four tribromofluoromethane molecules. C4+ is bonded in a distorted tetrahedral geometry to three Br1- and one F1- atom. There is two shorter (1.95 Å) and one longer (1.96 Å) C–Br bond length. The C–F bond length is 1.36 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one C4+ atom. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to one C4+ atom. F1- is bonded in a single-bond geometry to one C4+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-28765
- 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; CBr3F; Br-C-F
- OSTI Identifier:
- 1202821
- DOI:
- https://doi.org/10.17188/1202821
Citation Formats
The Materials Project. Materials Data on CBr3F by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1202821.
The Materials Project. Materials Data on CBr3F by Materials Project. United States. doi:https://doi.org/10.17188/1202821
The Materials Project. 2020.
"Materials Data on CBr3F by Materials Project". United States. doi:https://doi.org/10.17188/1202821. https://www.osti.gov/servlets/purl/1202821. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1202821,
title = {Materials Data on CBr3F by Materials Project},
author = {The Materials Project},
abstractNote = {CFBr3 is beta Np structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four tribromofluoromethane molecules. C4+ is bonded in a distorted tetrahedral geometry to three Br1- and one F1- atom. There is two shorter (1.95 Å) and one longer (1.96 Å) C–Br bond length. The C–F bond length is 1.36 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one C4+ atom. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to one C4+ atom. F1- is bonded in a single-bond geometry to one C4+ atom.},
doi = {10.17188/1202821},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 24 00:00:00 EDT 2020},
month = {Fri Jul 24 00:00:00 EDT 2020}
}
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