Materials Data on Li3Ca by Materials Project

doi:10.17188/1314967

Title: Materials Data on Li3Ca by Materials Project

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Abstract

Li3Ca crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 12-coordinate geometry to four equivalent Li and four equivalent Ca atoms. All Li–Li bond lengths are 3.25 Å. All Li–Ca bond lengths are 3.37 Å. In the second Li site, Li is bonded in a square co-planar geometry to four equivalent Ca atoms. All Li–Ca bond lengths are 3.25 Å. Ca is bonded to twelve Li atoms to form a mixture of corner, edge, and face-sharing CaLi12 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-976075

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; Li3Ca; Ca-Li

OSTI Identifier:: 1314967

DOI:: https://doi.org/10.17188/1314967

Citation Formats


                    The Materials Project. Materials Data on Li3Ca by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314967.

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                    The Materials Project. Materials Data on Li3Ca by Materials Project.  United States.  doi:https://doi.org/10.17188/1314967

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                    The Materials Project. 2020.  
"Materials Data on Li3Ca by Materials Project".  United States.  doi:https://doi.org/10.17188/1314967.  https://www.osti.gov/servlets/purl/1314967. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1314967,

  title        = {Materials Data on Li3Ca by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li3Ca crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 12-coordinate geometry to four equivalent Li and four equivalent Ca atoms. All Li–Li bond lengths are 3.25 Å. All Li–Ca bond lengths are 3.37 Å. In the second Li site, Li is bonded in a square co-planar geometry to four equivalent Ca atoms. All Li–Ca bond lengths are 3.25 Å. Ca is bonded to twelve Li atoms to form a mixture of corner, edge, and face-sharing CaLi12 cuboctahedra.},

  doi          = {10.17188/1314967},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1314967

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