Materials Data on SbC2N2F5 by Materials Project
CNCSbNF5 crystallizes in the orthorhombic C222_1 space group. The structure is zero-dimensional and consists of four hydrogen cyanide molecules and four CSbNF5 clusters. In each CSbNF5 cluster, C4+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.16 Å. Sb3+ is bonded in a distorted octahedral geometry to one N3- and five F1- atoms. The Sb–N bond length is 2.26 Å. There is one shorter (1.88 Å) and four longer (1.90 Å) Sb–F bond length. N3- is bonded in a 1-coordinate geometry to one C4+ and one Sb3+ atom. 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:
- 1728237
- Report Number(s):
- mp-1209165
- Country of Publication:
- United States
- Language:
- English
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