Materials Data on LaGaSi by Materials Project

doi:10.17188/1708229

Title: Materials Data on LaGaSi by Materials Project

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Abstract

LaGaSi crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. La2+ is bonded to six equivalent Si4- atoms to form a mixture of distorted edge, face, and corner-sharing LaSi6 pentagonal pyramids. There are two shorter (3.23 Å) and four longer (3.28 Å) La–Si bond lengths. Ga2+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. There are one shorter (2.42 Å) and two longer (2.47 Å) Ga–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 3-coordinate geometry to six equivalent La2+ and three equivalent Ga2+ atoms. In the second Si4- site, Si4- is bonded in a 3-coordinate geometry to six equivalent La2+ and three equivalent Ga2+ atoms. There are two shorter (3.23 Å) and four longer (3.28 Å) Si–La bond lengths. There are one shorter (2.42 Å) and two longer (2.47 Å) Si–Ga bond lengths.

Authors:: The Materials Project

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

Other Number(s):: mp-1222823

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; LaGaSi; Ga-La-Si

OSTI Identifier:: 1708229

DOI:: https://doi.org/10.17188/1708229

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                    The Materials Project. Materials Data on LaGaSi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1708229.

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                    The Materials Project. Materials Data on LaGaSi by Materials Project.  United States.  doi:https://doi.org/10.17188/1708229

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                    The Materials Project. 2020.  
"Materials Data on LaGaSi by Materials Project".  United States.  doi:https://doi.org/10.17188/1708229.  https://www.osti.gov/servlets/purl/1708229. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1708229,

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

  author       = {The Materials Project},

  abstractNote = {LaGaSi crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. La2+ is bonded to six equivalent Si4- atoms to form a mixture of distorted edge, face, and corner-sharing LaSi6 pentagonal pyramids. There are two shorter (3.23 Å) and four longer (3.28 Å) La–Si bond lengths. Ga2+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. There are one shorter (2.42 Å) and two longer (2.47 Å) Ga–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 3-coordinate geometry to six equivalent La2+ and three equivalent Ga2+ atoms. In the second Si4- site, Si4- is bonded in a 3-coordinate geometry to six equivalent La2+ and three equivalent Ga2+ atoms. There are two shorter (3.23 Å) and four longer (3.28 Å) Si–La bond lengths. There are one shorter (2.42 Å) and two longer (2.47 Å) Si–Ga bond lengths.},

  doi          = {10.17188/1708229},

  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/10.17188/1708229

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