Materials Data on Te6As4C3(NF8)3 by Materials Project
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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1268794
- Report Number(s):
- mp-555419
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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