Materials Data on Ge19(SbI)4 by Materials Project

doi:10.17188/1696009

Title: Materials Data on Ge19(SbI)4 by Materials Project

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Abstract

Ge19Sb4(I)4 crystallizes in the cubic P-43n space group. The structure is three-dimensional and consists of eight hydriodic acid molecules and one Ge19Sb4 framework. In the Ge19Sb4 framework, there are three inequivalent Ge sites. In the first Ge site, Ge is bonded to three equivalent Ge and one Sb atom to form distorted GeGe3Sb tetrahedra that share corners with three equivalent SbGe4 tetrahedra and corners with nine GeGe4 tetrahedra. All Ge–Ge bond lengths are 2.50 Å. The Ge–Sb bond length is 2.67 Å. In the second Ge site, Ge is bonded to three Ge and one Sb atom to form GeGe3Sb tetrahedra that share corners with two equivalent SbGe4 tetrahedra and corners with ten GeGe3Sb tetrahedra. There are one shorter (2.55 Å) and one longer (2.56 Å) Ge–Ge bond lengths. The Ge–Sb bond length is 2.71 Å. In the third Ge site, Ge is bonded to four equivalent Ge atoms to form GeGe4 tetrahedra that share corners with four equivalent SbGe4 tetrahedra and corners with eight GeGe3Sb tetrahedra. Sb is bonded to four Ge atoms to form SbGe4 tetrahedra that share corners with twelve GeGe3Sb tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1212622

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; Ge19(SbI)4; Ge-I-Sb

OSTI Identifier:: 1696009

DOI:: https://doi.org/10.17188/1696009

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                    The Materials Project. Materials Data on Ge19(SbI)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1696009.

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                    The Materials Project. Materials Data on Ge19(SbI)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1696009

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                    The Materials Project. 2020.  
"Materials Data on Ge19(SbI)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1696009.  https://www.osti.gov/servlets/purl/1696009. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1696009,

  title        = {Materials Data on Ge19(SbI)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ge19Sb4(I)4 crystallizes in the cubic P-43n space group. The structure is three-dimensional and consists of eight hydriodic acid molecules and one Ge19Sb4 framework. In the Ge19Sb4 framework, there are three inequivalent Ge sites. In the first Ge site, Ge is bonded to three equivalent Ge and one Sb atom to form distorted GeGe3Sb tetrahedra that share corners with three equivalent SbGe4 tetrahedra and corners with nine GeGe4 tetrahedra. All Ge–Ge bond lengths are 2.50 Å. The Ge–Sb bond length is 2.67 Å. In the second Ge site, Ge is bonded to three Ge and one Sb atom to form GeGe3Sb tetrahedra that share corners with two equivalent SbGe4 tetrahedra and corners with ten GeGe3Sb tetrahedra. There are one shorter (2.55 Å) and one longer (2.56 Å) Ge–Ge bond lengths. The Ge–Sb bond length is 2.71 Å. In the third Ge site, Ge is bonded to four equivalent Ge atoms to form GeGe4 tetrahedra that share corners with four equivalent SbGe4 tetrahedra and corners with eight GeGe3Sb tetrahedra. Sb is bonded to four Ge atoms to form SbGe4 tetrahedra that share corners with twelve GeGe3Sb tetrahedra.},

  doi          = {10.17188/1696009},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1696009

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