Materials Data on Sb2PH3(CF5)4 by Materials Project
CH3P(CF3)3Sb2F11 crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of twenty-four fluoroform molecules, eight methane molecules, eight phosphine molecules, and eight Sb2F11 clusters. In each Sb2F11 cluster, there are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are a spread of Sb–F bond distances ranging from 1.90–2.07 Å. In the second Sb2- site, Sb2- is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are a spread of Sb–F bond distances ranging from 1.90–2.07 Å. There are eleven inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb2- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb2- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb2- atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb2- atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb2- atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb2- atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Sb2- atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Sb2- atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Sb2- atom. In the tenth F1- site, F1- is bonded in a bent 150 degrees geometry to two Sb2- atoms. In the eleventh F1- site, F1- is bonded in a single-bond geometry to one Sb2- 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:
- 1742278
- Report Number(s):
- mp-1198885
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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