U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Te6As4C3(NF8)3 by Materials Project
Abstract
CN(CNTe)2(Te)2AsTe2F6(AsF6)3 is beta Plutonium-derived structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four hydrogen cyanide molecules, eight telloy molecules, twelve AsF6 clusters, four AsTe2F6 clusters, and eight CNTe clusters. In each AsF6 cluster, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.76–1.79 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In each AsTe2F6 cluster, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.75–1.81 Å. Te+0.17+ is bonded in a single-bond geometry to one F1- atom. The Te–F bond length is 2.82 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-555419
- 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; Te6As4C3(NF8)3; As-C-F-N-Te
- OSTI Identifier:
- 1268794
- DOI:
- https://doi.org/10.17188/1268794
Citation Formats
The Materials Project. Materials Data on Te6As4C3(NF8)3 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1268794.
The Materials Project. Materials Data on Te6As4C3(NF8)3 by Materials Project. United States. doi:https://doi.org/10.17188/1268794
The Materials Project. 2017.
"Materials Data on Te6As4C3(NF8)3 by Materials Project". United States. doi:https://doi.org/10.17188/1268794. https://www.osti.gov/servlets/purl/1268794. Pub date:Tue May 09 00:00:00 EDT 2017
@article{osti_1268794,
title = {Materials Data on Te6As4C3(NF8)3 by Materials Project},
author = {The Materials Project},
abstractNote = {CN(CNTe)2(Te)2AsTe2F6(AsF6)3 is beta Plutonium-derived structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four hydrogen cyanide molecules, eight telloy molecules, twelve AsF6 clusters, four AsTe2F6 clusters, and eight CNTe clusters. In each AsF6 cluster, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.76–1.79 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In each AsTe2F6 cluster, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.75–1.81 Å. Te+0.17+ is bonded in a single-bond geometry to one F1- atom. The Te–F bond length is 2.82 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As5+ and one Te+0.17+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In each CNTe cluster, C4+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.16 Å. N3- is bonded in a single-bond geometry to one C4+ and one Te+0.17+ atom. The N–Te bond length is 2.90 Å. Te+0.17+ is bonded in a single-bond geometry to one N3- atom.},
doi = {10.17188/1268794},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}