Materials Data on Li2Sm2Si3 by Materials Project

doi:10.17188/1676843

Title: Materials Data on Li2Sm2Si3 by Materials Project

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Abstract

Li2Sm2Si3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded to three equivalent Sm and four Si atoms to form a mixture of distorted edge, face, and corner-sharing LiSm3Si4 tetrahedra. All Li–Sm bond lengths are 3.08 Å. There are a spread of Li–Si bond distances ranging from 2.57–2.67 Å. There are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 9-coordinate geometry to nine Si atoms. There are a spread of Sm–Si bond distances ranging from 3.06–3.21 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to six equivalent Li and six Si atoms. There are four shorter (3.07 Å) and two longer (3.14 Å) Sm–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 1-coordinate geometry to one Li, six Sm, and two equivalent Si atoms. There are one shorter (2.37 Å) and one longer (2.40 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 6-coordinate geometry to six equivalent Li and three Sm atoms.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1210778

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; Li2Sm2Si3; Li-Si-Sm

OSTI Identifier:: 1676843

DOI:: https://doi.org/10.17188/1676843

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                    The Materials Project. Materials Data on Li2Sm2Si3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1676843.

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                    The Materials Project. Materials Data on Li2Sm2Si3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1676843

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                    The Materials Project. 2020.  
"Materials Data on Li2Sm2Si3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1676843.  https://www.osti.gov/servlets/purl/1676843. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1676843,

  title        = {Materials Data on Li2Sm2Si3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2Sm2Si3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded to three equivalent Sm and four Si atoms to form a mixture of distorted edge, face, and corner-sharing LiSm3Si4 tetrahedra. All Li–Sm bond lengths are 3.08 Å. There are a spread of Li–Si bond distances ranging from 2.57–2.67 Å. There are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 9-coordinate geometry to nine Si atoms. There are a spread of Sm–Si bond distances ranging from 3.06–3.21 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to six equivalent Li and six Si atoms. There are four shorter (3.07 Å) and two longer (3.14 Å) Sm–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 1-coordinate geometry to one Li, six Sm, and two equivalent Si atoms. There are one shorter (2.37 Å) and one longer (2.40 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 6-coordinate geometry to six equivalent Li and three Sm atoms.},

  doi          = {10.17188/1676843},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1676843

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