Materials Data on Li7Al6 by Materials Project

doi:10.17188/1677999

Title: Materials Data on Li7Al6 by Materials Project

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Abstract

(Li)2Li5Al4(Al)2 crystallizes in the orthorhombic Cmmm space group. The structure is zero-dimensional and consists of four aluminum molecules, four lithium molecules, and two Li5Al4 clusters. In each Li5Al4 cluster, there are two inequivalent Li sites. In the first Li site, Li is bonded in a single-bond geometry to one Al atom. The Li–Al bond length is 2.68 Å. In the second Li site, Li is bonded in a distorted rectangular see-saw-like geometry to four equivalent Al atoms. All Li–Al bond lengths are 2.89 Å. Al is bonded in a 3-coordinate geometry to two Li and one Al atom. The Al–Al bond length is 2.49 Å.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1212183

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; Li7Al6; Al-Li

OSTI Identifier:: 1677999

DOI:: https://doi.org/10.17188/1677999

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                    The Materials Project. Materials Data on Li7Al6 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1677999.

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                    The Materials Project. Materials Data on Li7Al6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1677999

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                    The Materials Project. 2019.  
"Materials Data on Li7Al6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1677999.  https://www.osti.gov/servlets/purl/1677999. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1677999,

  title        = {Materials Data on Li7Al6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(Li)2Li5Al4(Al)2 crystallizes in the orthorhombic Cmmm space group. The structure is zero-dimensional and consists of four aluminum molecules, four lithium molecules, and two Li5Al4 clusters. In each Li5Al4 cluster, there are two inequivalent Li sites. In the first Li site, Li is bonded in a single-bond geometry to one Al atom. The Li–Al bond length is 2.68 Å. In the second Li site, Li is bonded in a distorted rectangular see-saw-like geometry to four equivalent Al atoms. All Li–Al bond lengths are 2.89 Å. Al is bonded in a 3-coordinate geometry to two Li and one Al atom. The Al–Al bond length is 2.49 Å.},

  doi          = {10.17188/1677999},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1677999

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