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Materials Data on AgSbC6N4(OF3)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1279949· OSTI ID:1279949
Ag(CN)4(CO)2SbF6 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight formaldehyde molecules, four Ag(CN)4 clusters, and four SbF6 clusters. In each Ag(CN)4 cluster, Ag1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are two shorter (2.27 Å) and two longer (2.32 Å) Ag–N bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.16 Å. In the second C4+ site, C4+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.16 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted linear geometry to one Ag1+ and one C4+ atom. In the second N3- site, N3- is bonded in a distorted linear geometry to one Ag1+ and one C4+ atom. In each SbF6 cluster, Sb3- is bonded in an octahedral geometry to six F1- atoms. There is four shorter (1.92 Å) and two longer (1.93 Å) Sb–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb3- 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:
1279949
Report Number(s):
mp-640564
Country of Publication:
United States
Language:
English

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