U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Dy(AlCl4)3 by Materials Project
Abstract
DyAl3Cl12 crystallizes in the trigonal P3_112 space group. The structure is one-dimensional and consists of one DyAl3Cl12 ribbon oriented in the (0, 0, 1) direction. Dy3+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Dy–Cl bond distances ranging from 2.73–2.92 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are two shorter (2.16 Å) and two longer (2.17 Å) Al–Cl bond lengths. In the second Al3+ site, Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Al–Cl bond distances ranging from 2.10–2.24 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Dy3+ and 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 distorted L-shaped geometry to one Dy3+ and one Al3+ atom. In the fifth Cl1- site, Cl1- is bonded in amore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-28714
- 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; Dy(AlCl4)3; Al-Cl-Dy
- OSTI Identifier:
- 1202783
- DOI:
- https://doi.org/10.17188/1202783
Citation Formats
The Materials Project. Materials Data on Dy(AlCl4)3 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1202783.
The Materials Project. Materials Data on Dy(AlCl4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1202783
The Materials Project. 2017.
"Materials Data on Dy(AlCl4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1202783. https://www.osti.gov/servlets/purl/1202783. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1202783,
title = {Materials Data on Dy(AlCl4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {DyAl3Cl12 crystallizes in the trigonal P3_112 space group. The structure is one-dimensional and consists of one DyAl3Cl12 ribbon oriented in the (0, 0, 1) direction. Dy3+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Dy–Cl bond distances ranging from 2.73–2.92 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are two shorter (2.16 Å) and two longer (2.17 Å) Al–Cl bond lengths. In the second Al3+ site, Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Al–Cl bond distances ranging from 2.10–2.24 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Dy3+ and 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 distorted L-shaped geometry to one Dy3+ and one Al3+ atom. In the fifth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Dy3+ and one Al3+ atom. In the sixth Cl1- site, Cl1- is bonded in an L-shaped geometry to one Dy3+ and one Al3+ atom.},
doi = {10.17188/1202783},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}