Materials Data on GeXeF10 by Materials Project
Abstract
XeF5GeF5 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four XeF5 clusters and two GeF5 ribbons oriented in the (1, 0, 0) direction. In each XeF5 cluster, Xe is bonded in a distorted square pyramidal geometry to five F atoms. There is one shorter (1.97 Å) and four longer (1.98 Å) Xe–F bond length. There are four 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 each GeF5 ribbon, Ge is bonded to six F atoms to form corner-sharing GeF6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are a spread of Ge–F bond distances ranging from 1.79–1.94 Å. There are three inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Ge atom. In the second F site, F is bonded in a single-bond geometry tomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-556130
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; GeXeF10; F-Ge-Xe
- OSTI Identifier:
- 1269187
- DOI:
- https://doi.org/10.17188/1269187
Citation Formats
The Materials Project. Materials Data on GeXeF10 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1269187.
The Materials Project. Materials Data on GeXeF10 by Materials Project. United States. doi:https://doi.org/10.17188/1269187
The Materials Project. 2020.
"Materials Data on GeXeF10 by Materials Project". United States. doi:https://doi.org/10.17188/1269187. https://www.osti.gov/servlets/purl/1269187. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1269187,
title = {Materials Data on GeXeF10 by Materials Project},
author = {The Materials Project},
abstractNote = {XeF5GeF5 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four XeF5 clusters and two GeF5 ribbons oriented in the (1, 0, 0) direction. In each XeF5 cluster, Xe is bonded in a distorted square pyramidal geometry to five F atoms. There is one shorter (1.97 Å) and four longer (1.98 Å) Xe–F bond length. There are four 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 each GeF5 ribbon, Ge is bonded to six F atoms to form corner-sharing GeF6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are a spread of Ge–F bond distances ranging from 1.79–1.94 Å. There are three inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Ge atom. In the second F site, F is bonded in a single-bond geometry to one Ge atom. In the third F site, F is bonded in a bent 150 degrees geometry to two equivalent Ge atoms.},
doi = {10.17188/1269187},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}