skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Mg(AlCl4)2 by Materials Project

Abstract

Mg(AlCl4)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two Mg(AlCl4)2 ribbons oriented in the (0, 0, 1) direction. Mg2+ is bonded to six Cl1- atoms to form MgCl6 octahedra that share corners with two equivalent AlCl4 tetrahedra and edges with two equivalent AlCl4 tetrahedra. There are two shorter (2.53 Å) and four longer (2.56 Å) Mg–Cl bond lengths. Al3+ is bonded to four Cl1- atoms to form AlCl4 tetrahedra that share a cornercorner with one MgCl6 octahedra and an edgeedge with one MgCl6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are one shorter (2.10 Å) and three longer (2.19 Å) Al–Cl bond lengths. 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 an L-shaped geometry to one Mg2+ and one Al3+ atom. In the third Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one Mg2+ and one Al3+ atom. In the fourth Cl1- site, Cl1- is bonded in an L-shaped geometry to one Mg2+ and one Al3+ atom.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1266541
Report Number(s):
mp-542463
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Mg(AlCl4)2; Al-Cl-Mg

Citation Formats

The Materials Project. Materials Data on Mg(AlCl4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266541.
The Materials Project. Materials Data on Mg(AlCl4)2 by Materials Project. United States. https://doi.org/10.17188/1266541
The Materials Project. 2020. "Materials Data on Mg(AlCl4)2 by Materials Project". United States. https://doi.org/10.17188/1266541. https://www.osti.gov/servlets/purl/1266541.
@article{osti_1266541,
title = {Materials Data on Mg(AlCl4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg(AlCl4)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two Mg(AlCl4)2 ribbons oriented in the (0, 0, 1) direction. Mg2+ is bonded to six Cl1- atoms to form MgCl6 octahedra that share corners with two equivalent AlCl4 tetrahedra and edges with two equivalent AlCl4 tetrahedra. There are two shorter (2.53 Å) and four longer (2.56 Å) Mg–Cl bond lengths. Al3+ is bonded to four Cl1- atoms to form AlCl4 tetrahedra that share a cornercorner with one MgCl6 octahedra and an edgeedge with one MgCl6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are one shorter (2.10 Å) and three longer (2.19 Å) Al–Cl bond lengths. 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 an L-shaped geometry to one Mg2+ and one Al3+ atom. In the third Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one Mg2+ and one Al3+ atom. In the fourth Cl1- site, Cl1- is bonded in an L-shaped geometry to one Mg2+ and one Al3+ atom.},
doi = {10.17188/1266541},
url = {https://www.osti.gov/biblio/1266541}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}