Materials Data on Sm(AlCl4)2 by Materials Project

doi:10.17188/1275160

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

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Abstract

Sm(AlCl4)2 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of one Sm(AlCl4)2 sheet oriented in the (1, 0, 0) direction. Sm2+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Sm–Cl bond distances ranging from 2.96–2.99 Å. Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are three shorter (2.17 Å) and one longer (2.18 Å) Al–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Sm2+ and one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sm2+ and one Al3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sm2+ and one Al3+ atom. In the fourth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to one Sm2+ and one Al3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-569569

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; Sm(AlCl4)2; Al-Cl-Sm

OSTI Identifier:: 1275160

DOI:: https://doi.org/10.17188/1275160

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                    The Materials Project. Materials Data on Sm(AlCl4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275160.

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                    The Materials Project. Materials Data on Sm(AlCl4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275160

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                    The Materials Project. 2020.  
"Materials Data on Sm(AlCl4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275160.  https://www.osti.gov/servlets/purl/1275160. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1275160,

  title        = {Materials Data on Sm(AlCl4)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sm(AlCl4)2 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of one Sm(AlCl4)2 sheet oriented in the (1, 0, 0) direction. Sm2+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Sm–Cl bond distances ranging from 2.96–2.99 Å. Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are three shorter (2.17 Å) and one longer (2.18 Å) Al–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Sm2+ and one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sm2+ and one Al3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sm2+ and one Al3+ atom. In the fourth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to one Sm2+ and one Al3+ atom.},

  doi          = {10.17188/1275160},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1275160

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