Materials Data on SmGaSi by Materials Project

doi:10.17188/1676808

Title: Materials Data on SmGaSi by Materials Project

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Abstract

SmGaSi crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Sm2+ is bonded to six equivalent Si4- atoms to form a mixture of distorted edge, face, and corner-sharing SmSi6 pentagonal pyramids. There are two shorter (3.17 Å) and four longer (3.18 Å) Sm–Si bond lengths. Ga2+ is bonded in a trigonal planar geometry to three Si4- atoms. There are one shorter (2.38 Å) and two longer (2.40 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 Sm2+ and three equivalent Ga2+ atoms. In the second Si4- site, Si4- is bonded in a 3-coordinate geometry to six equivalent Sm2+ and three equivalent Ga2+ atoms. There are two shorter (3.17 Å) and four longer (3.18 Å) Si–Sm bond lengths.

Authors:: The Materials Project

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

Other Number(s):: mp-1218980

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; SmGaSi; Ga-Si-Sm

OSTI Identifier:: 1676808

DOI:: https://doi.org/10.17188/1676808

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                    The Materials Project. Materials Data on SmGaSi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1676808.

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                    The Materials Project. Materials Data on SmGaSi by Materials Project.  United States.  doi:https://doi.org/10.17188/1676808

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                    The Materials Project. 2020.  
"Materials Data on SmGaSi by Materials Project".  United States.  doi:https://doi.org/10.17188/1676808.  https://www.osti.gov/servlets/purl/1676808. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1676808,

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

  author       = {The Materials Project},

  abstractNote = {SmGaSi crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Sm2+ is bonded to six equivalent Si4- atoms to form a mixture of distorted edge, face, and corner-sharing SmSi6 pentagonal pyramids. There are two shorter (3.17 Å) and four longer (3.18 Å) Sm–Si bond lengths. Ga2+ is bonded in a trigonal planar geometry to three Si4- atoms. There are one shorter (2.38 Å) and two longer (2.40 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 Sm2+ and three equivalent Ga2+ atoms. In the second Si4- site, Si4- is bonded in a 3-coordinate geometry to six equivalent Sm2+ and three equivalent Ga2+ atoms. There are two shorter (3.17 Å) and four longer (3.18 Å) Si–Sm bond lengths.},

  doi          = {10.17188/1676808},

  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/10.17188/1676808

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