Materials Data on Ni(XeF8)2 by Materials Project
XeF5XeNiF11 crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of eight XeF5 clusters and four XeNiF11 clusters. In each XeF5 cluster, Xe is bonded in a 5-coordinate geometry to five F atoms. There are a spread of Xe–F bond distances ranging from 1.98–2.00 Å. There are five inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Xe atom. In the second F site, F is bonded in a single-bond geometry to one Xe atom. In the third F site, F is bonded in a single-bond geometry to one Xe atom. In the fourth F site, F is bonded in a single-bond geometry to one Xe atom. In the fifth F site, F is bonded in a single-bond geometry to one Xe atom. In each XeNiF11 cluster, Xe is bonded in a 5-coordinate geometry to eight F atoms. There are a spread of Xe–F bond distances ranging from 1.97–2.59 Å. Ni is bonded in an octahedral geometry to six F atoms. There are a spread of Ni–F bond distances ranging from 1.80–1.82 Å. There are eleven inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Xe atom. In the second F site, F is bonded in a single-bond geometry to one Xe atom. In the third F site, F is bonded in a single-bond geometry to one Ni atom. In the fourth F site, F is bonded in a single-bond geometry to one Ni atom. In the fifth F site, F is bonded in a single-bond geometry to one Xe and one Ni atom. In the sixth F site, F is bonded in a single-bond geometry to one Xe atom. In the seventh F site, F is bonded in a single-bond geometry to one Xe atom. In the eighth F site, F is bonded in a single-bond geometry to one Xe atom. In the ninth F site, F is bonded in a single-bond geometry to one Xe and one Ni atom. In the tenth F site, F is bonded in a distorted single-bond geometry to one Xe and one Ni atom. In the eleventh F site, F is bonded in a single-bond geometry to one Ni 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:
- 1281288
- Report Number(s):
- mp-654447
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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