U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SbAsH6(CF4)2 by Materials Project
Abstract
AsH6(CF)2SbF6 crystallizes in the orthorhombic Ibca space group. The structure is zero-dimensional and consists of eight AsH6(CF)2 clusters and eight SbF6 clusters. In each AsH6(CF)2 cluster, C4+ is bonded to one As3- and three H1+ atoms to form distorted corner-sharing CAsH3 tetrahedra. The C–As bond length is 1.91 Å. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. As3- is bonded in a distorted tetrahedral geometry to two equivalent C4+ and two equivalent F1- atoms. Both As–F bond lengths are 1.73 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C4+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C4+ atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C4+ atom. F1- is bonded in a single-bond geometry to one As3- atom. In each SbF6 cluster, Sb3- is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.91–1.94 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3-more »
- Publication Date:
- Other Number(s):
- mp-1200260
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; As-C-F-H-Sb; SbAsH6(CF4)2; crystal structure
- OSTI Identifier:
- 1720699
- DOI:
- https://doi.org/10.17188/1720699
Citation Formats
Materials Data on SbAsH6(CF4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1720699.
Materials Data on SbAsH6(CF4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1720699
2020.
"Materials Data on SbAsH6(CF4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1720699. https://www.osti.gov/servlets/purl/1720699. Pub date:Thu Apr 30 04:00:00 UTC 2020
@article{osti_1720699,
title = {Materials Data on SbAsH6(CF4)2 by Materials Project},
abstractNote = {AsH6(CF)2SbF6 crystallizes in the orthorhombic Ibca space group. The structure is zero-dimensional and consists of eight AsH6(CF)2 clusters and eight SbF6 clusters. In each AsH6(CF)2 cluster, C4+ is bonded to one As3- and three H1+ atoms to form distorted corner-sharing CAsH3 tetrahedra. The C–As bond length is 1.91 Å. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. As3- is bonded in a distorted tetrahedral geometry to two equivalent C4+ and two equivalent F1- atoms. Both As–F bond lengths are 1.73 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C4+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C4+ atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C4+ atom. F1- is bonded in a single-bond geometry to one As3- atom. In each SbF6 cluster, Sb3- is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.91–1.94 Å. 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.},
doi = {10.17188/1720699},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 04:00:00 UTC 2020},
month = {Thu Apr 30 04:00:00 UTC 2020}
}