Materials Data on Ge19(AsI)4 by Materials Project

doi:10.17188/1201825

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

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Abstract

Ge19As4(I)4 crystallizes in the cubic P-43n space group. The structure is three-dimensional and consists of eight hydriodic acid molecules and one Ge19As4 framework. In the Ge19As4 framework, there are three inequivalent Ge sites. In the first Ge site, Ge is bonded to three Ge and one As atom to form GeGe3As tetrahedra that share corners with two equivalent AsGe4 tetrahedra and corners with ten GeGe3As tetrahedra. There are a spread of Ge–Ge bond distances ranging from 2.49–2.54 Å. The Ge–As bond length is 2.55 Å. In the second Ge site, Ge is bonded to three equivalent Ge and one As atom to form distorted GeGe3As tetrahedra that share corners with three equivalent AsGe4 tetrahedra and corners with nine GeGe4 tetrahedra. The Ge–As bond length is 2.50 Å. In the third Ge site, Ge is bonded to four equivalent Ge atoms to form GeGe4 tetrahedra that share corners with four equivalent AsGe4 tetrahedra and corners with eight GeGe3As tetrahedra. As is bonded to four Ge atoms to form AsGe4 tetrahedra that share corners with twelve GeGe3As tetrahedra.

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-27626

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(AsI)4; As-Ge-I

OSTI Identifier:: 1201825

DOI:: https://doi.org/10.17188/1201825

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                    The Materials Project. Materials Data on Ge19(AsI)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1201825.

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                    The Materials Project. Materials Data on Ge19(AsI)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1201825

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                    The Materials Project. 2020.  
"Materials Data on Ge19(AsI)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1201825.  https://www.osti.gov/servlets/purl/1201825. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1201825,

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

  author       = {The Materials Project},

  abstractNote = {Ge19As4(I)4 crystallizes in the cubic P-43n space group. The structure is three-dimensional and consists of eight hydriodic acid molecules and one Ge19As4 framework. In the Ge19As4 framework, there are three inequivalent Ge sites. In the first Ge site, Ge is bonded to three Ge and one As atom to form GeGe3As tetrahedra that share corners with two equivalent AsGe4 tetrahedra and corners with ten GeGe3As tetrahedra. There are a spread of Ge–Ge bond distances ranging from 2.49–2.54 Å. The Ge–As bond length is 2.55 Å. In the second Ge site, Ge is bonded to three equivalent Ge and one As atom to form distorted GeGe3As tetrahedra that share corners with three equivalent AsGe4 tetrahedra and corners with nine GeGe4 tetrahedra. The Ge–As bond length is 2.50 Å. In the third Ge site, Ge is bonded to four equivalent Ge atoms to form GeGe4 tetrahedra that share corners with four equivalent AsGe4 tetrahedra and corners with eight GeGe3As tetrahedra. As is bonded to four Ge atoms to form AsGe4 tetrahedra that share corners with twelve GeGe3As tetrahedra.},

  doi          = {10.17188/1201825},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1201825

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