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Title: Materials Data on TeAsF5 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1201598· OSTI ID:1201598

(Te)3(AsF6)2AsF3 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of twenty-four tellurium molecules, eight trifluoroarsine molecules, and sixteen AsF6 clusters. In each AsF6 cluster, As1- 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 six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As1- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As1- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As1- atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As1- atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one As1- atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one As1- 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:
1201598
Report Number(s):
mp-27379
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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