Materials Data on InH24C6(Br2N)3 by Materials Project
InBr6((CH3)2NH2)3 is Silicon tetrafluoride-derived structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of thirty-six dimethylazanium molecules and twelve InBr6 clusters. In each InBr6 cluster, In3+ is bonded in an octahedral geometry to six Br1- atoms. There are a spread of In–Br bond distances ranging from 2.70–2.82 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one In3+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one In3+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one In3+ 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:
- 1277293
- Report Number(s):
- mp-600242
- Country of Publication:
- United States
- Language:
- English
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