Materials Data on Li2NdSb2 by Materials Project

doi:10.17188/1195253

Title: Materials Data on Li2NdSb2 by Materials Project

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Abstract

Li2NdSb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five Sb+2.50- atoms. There are one shorter (2.54 Å) and four longer (2.67 Å) Li–Sb bond lengths. In the second Li1+ site, Li1+ is bonded to four equivalent Sb+2.50- atoms to form a mixture of edge and corner-sharing LiSb4 tetrahedra. All Li–Sb bond lengths are 2.83 Å. Nd3+ is bonded in a 8-coordinate geometry to eight Sb+2.50- atoms. There are four shorter (3.44 Å) and four longer (3.52 Å) Nd–Sb bond lengths. There are two inequivalent Sb+2.50- sites. In the first Sb+2.50- site, Sb+2.50- is bonded in a 1-coordinate geometry to five Li1+ and four equivalent Nd3+ atoms. In the second Sb+2.50- site, Sb+2.50- is bonded to four equivalent Li1+ and four equivalent Nd3+ atoms to form a mixture of distorted edge and face-sharing SbLi4Nd4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-20106

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; Li2NdSb2; Li-Nd-Sb

OSTI Identifier:: 1195253

DOI:: https://doi.org/10.17188/1195253

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                    The Materials Project. Materials Data on Li2NdSb2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195253.

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                    The Materials Project. Materials Data on Li2NdSb2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1195253

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                    The Materials Project. 2020.  
"Materials Data on Li2NdSb2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1195253.  https://www.osti.gov/servlets/purl/1195253. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1195253,

  title        = {Materials Data on Li2NdSb2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2NdSb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five Sb+2.50- atoms. There are one shorter (2.54 Å) and four longer (2.67 Å) Li–Sb bond lengths. In the second Li1+ site, Li1+ is bonded to four equivalent Sb+2.50- atoms to form a mixture of edge and corner-sharing LiSb4 tetrahedra. All Li–Sb bond lengths are 2.83 Å. Nd3+ is bonded in a 8-coordinate geometry to eight Sb+2.50- atoms. There are four shorter (3.44 Å) and four longer (3.52 Å) Nd–Sb bond lengths. There are two inequivalent Sb+2.50- sites. In the first Sb+2.50- site, Sb+2.50- is bonded in a 1-coordinate geometry to five Li1+ and four equivalent Nd3+ atoms. In the second Sb+2.50- site, Sb+2.50- is bonded to four equivalent Li1+ and four equivalent Nd3+ atoms to form a mixture of distorted edge and face-sharing SbLi4Nd4 tetrahedra.},

  doi          = {10.17188/1195253},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1195253

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