Materials Data on La(AlBr4)3 by Materials Project

doi:10.17188/1274795

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

Dataset
Other Related Research

Abstract

La(AlBr4)3 crystallizes in the trigonal P3_121 space group. The structure is one-dimensional and consists of one La(AlBr4)3 ribbon oriented in the (0, 0, 1) direction. La3+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of La–Br bond distances ranging from 3.02–3.20 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 a single-bond geometry to one Al3+ atom. In the second Br1- site, Br1- is bonded in a distorted L-shaped geometry to one La3+ and one Al3+ atom. In the third Br1- site, Br1- is bonded in an L-shaped geometry to one La3+ and one Al3+ atom. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one Al3+ atom. In the fifth Br1- site, Br1- is bonded in a distortedmore »« less

Authors:: The Materials Project

Publication Date:: Fri May 01 00:00:00 EDT 2020

Other Number(s):: mp-568896

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; La(AlBr4)3; Al-Br-La

OSTI Identifier:: 1274795

DOI:: https://doi.org/10.17188/1274795

Citation Formats


                    The Materials Project. Materials Data on La(AlBr4)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274795.

Copy to clipboard


                    The Materials Project. Materials Data on La(AlBr4)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274795

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on La(AlBr4)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274795.  https://www.osti.gov/servlets/purl/1274795. Pub date:Fri May 01 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1274795,

  title        = {Materials Data on La(AlBr4)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La(AlBr4)3 crystallizes in the trigonal P3_121 space group. The structure is one-dimensional and consists of one La(AlBr4)3 ribbon oriented in the (0, 0, 1) direction. La3+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of La–Br bond distances ranging from 3.02–3.20 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 a single-bond geometry to one Al3+ atom. In the second Br1- site, Br1- is bonded in a distorted L-shaped geometry to one La3+ and one Al3+ atom. In the third Br1- site, Br1- is bonded in an L-shaped geometry to one La3+ and one Al3+ atom. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one Al3+ atom. In the fifth Br1- site, Br1- is bonded in a distorted L-shaped geometry to one La3+ and one Al3+ atom. In the sixth Br1- site, Br1- is bonded in a distorted L-shaped geometry to one La3+ and one Al3+ atom.},

  doi          = {10.17188/1274795},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri May 01 00:00:00 EDT 2020},

  month        = {Fri May 01 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1274795

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on Nd(AlBr4)3 by Materials Project

Dataset The Materials Project

Nd(AlBr4)3 crystallizes in the trigonal P3_121 space group. The structure is one-dimensional and consists of one Nd(AlBr4)3 ribbon oriented in the (0, 0, 1) direction. Nd3+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Nd–Br bond distances ranging from 2.97–3.15 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 two shorter (2.33 Å) and two longer (2.34 Å) Al–Br bond lengths. In the second Al3+ site, Al3+ is bonded in a tetrahedral geometry to four Br1- atoms.more »« less
Materials Data on Pr(AlBr4)3 by Materials Project

Dataset The Materials Project

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 aremore »« less
Materials Data on Ce(AlBr4)3 by Materials Project

Dataset The Materials Project

Ce(AlBr4)3 crystallizes in the trigonal P3_121 space group. The structure is one-dimensional and consists of one Ce(AlBr4)3 ribbon oriented in the (0, 0, 1) direction. Ce3+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Ce–Br bond distances ranging from 2.99–3.20 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 aremore »« less
Materials Data on Sm(AlBr4)3 by Materials Project

Dataset The Materials Project

Sm(AlBr4)3 crystallizes in the trigonal P3_121 space group. The structure is one-dimensional and consists of one Sm(AlBr4)3 ribbon oriented in the (0, 0, 1) direction. Sm3+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Sm–Br bond distances ranging from 2.95–3.14 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. All Al–Brmore »« less
Materials Data on AlBr4 by Materials Project

Dataset The Materials Project

AlBr4 is Silicon tetrafluoride-like structured and crystallizes in the cubic Fm-3c space group. The structure is zero-dimensional and consists of twenty-four AlBr4 clusters. Al is bonded in a tetrahedral geometry to four equivalent Br atoms. All Al–Br bond lengths are 2.32 Å. Br is bonded in a single-bond geometry to one Al atom.

Similar Records