Materials Data on BeGeAs2 by Materials Project

doi:10.17188/1325573

Title: Materials Data on BeGeAs2 by Materials Project

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Abstract

BeGeAs2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Be2+ is bonded to four equivalent As3- atoms to form BeAs4 tetrahedra that share corners with four equivalent BeAs4 tetrahedra and corners with eight equivalent GeAs4 tetrahedra. All Be–As bond lengths are 2.27 Å. Ge4+ is bonded to four equivalent As3- atoms to form GeAs4 tetrahedra that share corners with four equivalent GeAs4 tetrahedra and corners with eight equivalent BeAs4 tetrahedra. All Ge–As bond lengths are 2.47 Å. As3- is bonded to two equivalent Be2+ and two equivalent Ge4+ atoms to form corner-sharing AsBe2Ge2 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-1009088

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; BeGeAs2; As-Be-Ge

OSTI Identifier:: 1325573

DOI:: https://doi.org/10.17188/1325573

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                    The Materials Project. Materials Data on BeGeAs2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1325573.

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                    The Materials Project. Materials Data on BeGeAs2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1325573

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                    The Materials Project. 2020.  
"Materials Data on BeGeAs2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1325573.  https://www.osti.gov/servlets/purl/1325573. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1325573,

  title        = {Materials Data on BeGeAs2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BeGeAs2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Be2+ is bonded to four equivalent As3- atoms to form BeAs4 tetrahedra that share corners with four equivalent BeAs4 tetrahedra and corners with eight equivalent GeAs4 tetrahedra. All Be–As bond lengths are 2.27 Å. Ge4+ is bonded to four equivalent As3- atoms to form GeAs4 tetrahedra that share corners with four equivalent GeAs4 tetrahedra and corners with eight equivalent BeAs4 tetrahedra. All Ge–As bond lengths are 2.47 Å. As3- is bonded to two equivalent Be2+ and two equivalent Ge4+ atoms to form corner-sharing AsBe2Ge2 tetrahedra.},

  doi          = {10.17188/1325573},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1325573

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