Materials Data on Sr(AlCl4)2 by Materials Project

doi:10.17188/1204456

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

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Abstract

Sr(AlCl4)2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional and consists of two Sr(AlCl4)2 frameworks. Sr2+ is bonded to eight Cl1- atoms to form distorted SrCl8 hexagonal bipyramids that share edges with four AlCl4 tetrahedra. There are a spread of Sr–Cl bond distances ranging from 3.08–3.13 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four Cl1- atoms to form AlCl4 tetrahedra that share edges with two equivalent SrCl8 hexagonal bipyramids. All Al–Cl bond lengths are 2.16 Å. In the second Al3+ site, Al3+ is bonded to four Cl1- atoms to form AlCl4 tetrahedra that share edges with two equivalent SrCl8 hexagonal bipyramids. All Al–Cl bond lengths are 2.16 Å. There are eight inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sr2+ and one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sr2+ and one Al3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sr2+ and one Al3+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry tomore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-30024

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

OSTI Identifier:: 1204456

DOI:: https://doi.org/10.17188/1204456

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                    The Materials Project. Materials Data on Sr(AlCl4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204456.

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                    The Materials Project. Materials Data on Sr(AlCl4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204456

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                    The Materials Project. 2020.  
"Materials Data on Sr(AlCl4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204456.  https://www.osti.gov/servlets/purl/1204456. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1204456,

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

  author       = {The Materials Project},

  abstractNote = {Sr(AlCl4)2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional and consists of two Sr(AlCl4)2 frameworks. Sr2+ is bonded to eight Cl1- atoms to form distorted SrCl8 hexagonal bipyramids that share edges with four AlCl4 tetrahedra. There are a spread of Sr–Cl bond distances ranging from 3.08–3.13 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four Cl1- atoms to form AlCl4 tetrahedra that share edges with two equivalent SrCl8 hexagonal bipyramids. All Al–Cl bond lengths are 2.16 Å. In the second Al3+ site, Al3+ is bonded to four Cl1- atoms to form AlCl4 tetrahedra that share edges with two equivalent SrCl8 hexagonal bipyramids. All Al–Cl bond lengths are 2.16 Å. There are eight inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sr2+ and one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sr2+ and one Al3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sr2+ and one Al3+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sr2+ and one Al3+ atom. In the fifth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sr2+ and one Al3+ atom. In the sixth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sr2+ and one Al3+ atom. In the seventh Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sr2+ and one Al3+ atom. In the eighth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sr2+ and one Al3+ atom.},

  doi          = {10.17188/1204456},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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