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Materials Data on SiH8(NF3)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1291480· OSTI ID:1291480

(NH4)2SiF6 is Silicon tetrafluoride-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is zero-dimensional and consists of four ammonium molecules and two SiF6 clusters. In each SiF6 cluster, Si4+ is bonded in an octahedral geometry to six F1- atoms. There is three shorter (1.72 Å) and three longer (1.73 Å) Si–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Si4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Si4+ atom.

Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1291480
Report Number(s):
mp-759722
Country of Publication:
United States
Language:
English

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