Materials Data on Sr6Li23 by Materials Project

doi:10.17188/1198923

Title: Materials Data on Sr6Li23 by Materials Project

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Abstract

Li23Sr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are four inequivalent Li sites. In the first Li site, Li is bonded in a distorted q6 geometry to nine Li and three equivalent Sr atoms. There are a spread of Li–Li bond distances ranging from 3.02–3.19 Å. All Li–Sr bond lengths are 3.73 Å. In the second Li site, Li is bonded in a body-centered cubic geometry to eight equivalent Li atoms. All Li–Li bond lengths are 3.11 Å. In the third Li site, Li is bonded to eight Li and four equivalent Sr atoms to form a mixture of face and corner-sharing LiSr4Li8 cuboctahedra. All Li–Li bond lengths are 3.23 Å. All Li–Sr bond lengths are 3.75 Å. In the fourth Li site, Li is bonded in a 10-coordinate geometry to seven Li and three equivalent Sr atoms. All Li–Sr bond lengths are 3.60 Å. Sr is bonded in a 12-coordinate geometry to twelve Li and four equivalent Sr atoms. All Sr–Sr bond lengths are 4.31 Å.

Authors:: The Materials Project

Publication Date:: Mon May 04 00:00:00 EDT 2020

Other Number(s):: mp-2272

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; Sr6Li23; Li-Sr

OSTI Identifier:: 1198923

DOI:: https://doi.org/10.17188/1198923

Citation Formats


                    The Materials Project. Materials Data on Sr6Li23 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1198923.

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                    The Materials Project. Materials Data on Sr6Li23 by Materials Project.  United States.  doi:https://doi.org/10.17188/1198923

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                    The Materials Project. 2020.  
"Materials Data on Sr6Li23 by Materials Project".  United States.  doi:https://doi.org/10.17188/1198923.  https://www.osti.gov/servlets/purl/1198923. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1198923,

  title        = {Materials Data on Sr6Li23 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li23Sr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are four inequivalent Li sites. In the first Li site, Li is bonded in a distorted q6 geometry to nine Li and three equivalent Sr atoms. There are a spread of Li–Li bond distances ranging from 3.02–3.19 Å. All Li–Sr bond lengths are 3.73 Å. In the second Li site, Li is bonded in a body-centered cubic geometry to eight equivalent Li atoms. All Li–Li bond lengths are 3.11 Å. In the third Li site, Li is bonded to eight Li and four equivalent Sr atoms to form a mixture of face and corner-sharing LiSr4Li8 cuboctahedra. All Li–Li bond lengths are 3.23 Å. All Li–Sr bond lengths are 3.75 Å. In the fourth Li site, Li is bonded in a 10-coordinate geometry to seven Li and three equivalent Sr atoms. All Li–Sr bond lengths are 3.60 Å. Sr is bonded in a 12-coordinate geometry to twelve Li and four equivalent Sr atoms. All Sr–Sr bond lengths are 4.31 Å.},

  doi          = {10.17188/1198923},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon May 04 00:00:00 EDT 2020},

  month        = {Mon May 04 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1198923

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