Materials Data on AlPH8(CCl2)2 by Materials Project
Abstract
P(CH4)2AlCl4 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight dimethylphosphine molecules and eight AlCl4 clusters. In each AlCl4 cluster, Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Al–Cl bond distances ranging from 2.15–2.17 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-569751
- 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; AlPH8(CCl2)2; Al-C-Cl-H-P
- OSTI Identifier:
- 1268565
- DOI:
- https://doi.org/10.17188/1268565
Citation Formats
The Materials Project. Materials Data on AlPH8(CCl2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1268565.
The Materials Project. Materials Data on AlPH8(CCl2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1268565
The Materials Project. 2020.
"Materials Data on AlPH8(CCl2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1268565. https://www.osti.gov/servlets/purl/1268565. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1268565,
title = {Materials Data on AlPH8(CCl2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {P(CH4)2AlCl4 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight dimethylphosphine molecules and eight AlCl4 clusters. In each AlCl4 cluster, Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Al–Cl bond distances ranging from 2.15–2.17 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom.},
doi = {10.17188/1268565},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}