skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: 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.

Publication Date:
Other Number(s):
mp-569751
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; AlPH8(CCl2)2; Al-C-Cl-H-P
OSTI Identifier:
1268565
DOI:
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:10.17188/1268565.
The Materials Project. 2020. "Materials Data on AlPH8(CCl2)2 by Materials Project". United States. doi: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 = {2020},
month = {4}
}

Dataset:

Save / Share: