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Title: Materials Data on Tb(AlCl4)3 by Materials Project

Abstract

Tb(AlCl4)3 crystallizes in the trigonal P3_112 space group. The structure is one-dimensional and consists of one Tb(AlCl4)3 ribbon oriented in the (0, 0, 1) direction. Tb3+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Tb–Cl bond distances ranging from 2.75–2.93 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 Tb3+ 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 Tb3+ and one Al3+ atom. In the fifth Cl1- site, Cl1- is bonded in amore » distorted L-shaped geometry to one Tb3+ and one Al3+ atom. In the sixth Cl1- site, Cl1- is bonded in an L-shaped geometry to one Tb3+ and one Al3+ atom.« less

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:
1204292
Report Number(s):
mp-29844
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; Tb(AlCl4)3; Al-Cl-Tb

Citation Formats

The Materials Project. Materials Data on Tb(AlCl4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204292.
The Materials Project. Materials Data on Tb(AlCl4)3 by Materials Project. United States. https://doi.org/10.17188/1204292
The Materials Project. 2020. "Materials Data on Tb(AlCl4)3 by Materials Project". United States. https://doi.org/10.17188/1204292. https://www.osti.gov/servlets/purl/1204292.
@article{osti_1204292,
title = {Materials Data on Tb(AlCl4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Tb(AlCl4)3 crystallizes in the trigonal P3_112 space group. The structure is one-dimensional and consists of one Tb(AlCl4)3 ribbon oriented in the (0, 0, 1) direction. Tb3+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Tb–Cl bond distances ranging from 2.75–2.93 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 Tb3+ 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 Tb3+ and one Al3+ atom. In the fifth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Tb3+ and one Al3+ atom. In the sixth Cl1- site, Cl1- is bonded in an L-shaped geometry to one Tb3+ and one Al3+ atom.},
doi = {10.17188/1204292},
url = {https://www.osti.gov/biblio/1204292}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}