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Title: Materials Data on AsIF12 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1268760· OSTI ID:1268760

AsF6IF6 is Halite, Rock Salt structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of four AsF6 clusters and four IF6 clusters. In each AsF6 cluster, As is bonded in an octahedral geometry to six equivalent F atoms. All As–F bond lengths are 1.78 Å. F is bonded in a single-bond geometry to one As atom. In each IF6 cluster, I is bonded in an octahedral geometry to six equivalent F atoms. All I–F bond lengths are 1.83 Å. F is bonded in a single-bond geometry to one I 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:
1268760
Report Number(s):
mp-555340
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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