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Title: Materials Data on Pr(AlBr4)3 by Materials Project

Abstract

Pr(AlBr4)3 crystallizes in the trigonal P3_121 space group. The structure is one-dimensional and consists of one Pr(AlBr4)3 ribbon oriented in the (0, 0, 1) direction. Pr3+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Pr–Br bond distances ranging from 3.00–3.17 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Al–Br bond distances ranging from 2.27–2.41 Å. In the second Al3+ site, Al3+ is bonded in a tetrahedral geometry to four Br1- atoms. There are two shorter (2.33 Å) and two longer (2.34 Å) Al–Br bond lengths. There are six inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in an L-shaped geometry to one Pr3+ and one Al3+ atom. In the second Br1- site, Br1- is bonded in a distorted L-shaped geometry to one Pr3+ and one Al3+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Al3+ atom. In the fourth Br1- site, Br1- is bonded in a distorted L-shaped geometry to one Pr3+ and one Al3+ atom. In the fifth Br1- site, Br1- ismore » bonded in a single-bond geometry to one Al3+ atom. In the sixth Br1- site, Br1- is bonded in a distorted L-shaped geometry to one Pr3+ and one Al3+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-567874
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; Pr(AlBr4)3; Al-Br-Pr
OSTI Identifier:
1274092
DOI:
https://doi.org/10.17188/1274092

Citation Formats

The Materials Project. Materials Data on Pr(AlBr4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274092.
The Materials Project. Materials Data on Pr(AlBr4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1274092
The Materials Project. 2020. "Materials Data on Pr(AlBr4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1274092. https://www.osti.gov/servlets/purl/1274092. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1274092,
title = {Materials Data on Pr(AlBr4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr(AlBr4)3 crystallizes in the trigonal P3_121 space group. The structure is one-dimensional and consists of one Pr(AlBr4)3 ribbon oriented in the (0, 0, 1) direction. Pr3+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Pr–Br bond distances ranging from 3.00–3.17 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Al–Br bond distances ranging from 2.27–2.41 Å. In the second Al3+ site, Al3+ is bonded in a tetrahedral geometry to four Br1- atoms. There are two shorter (2.33 Å) and two longer (2.34 Å) Al–Br bond lengths. There are six inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in an L-shaped geometry to one Pr3+ and one Al3+ atom. In the second Br1- site, Br1- is bonded in a distorted L-shaped geometry to one Pr3+ and one Al3+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Al3+ atom. In the fourth Br1- site, Br1- is bonded in a distorted L-shaped geometry to one Pr3+ and one Al3+ atom. In the fifth Br1- site, Br1- is bonded in a single-bond geometry to one Al3+ atom. In the sixth Br1- site, Br1- is bonded in a distorted L-shaped geometry to one Pr3+ and one Al3+ atom.},
doi = {10.17188/1274092},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}