Materials Data on B2AsP by Materials Project

doi:10.17188/1325057

Title: Materials Data on B2AsP by Materials Project

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Abstract

B2AsP is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. B3+ is bonded to two equivalent As3- and two equivalent P3- atoms to form corner-sharing BAs2P2 tetrahedra. Both B–As bond lengths are 2.06 Å. Both B–P bond lengths are 1.99 Å. As3- is bonded to four equivalent B3+ atoms to form AsB4 tetrahedra that share corners with four equivalent AsB4 tetrahedra and corners with eight equivalent PB4 tetrahedra. P3- is bonded to four equivalent B3+ atoms to form PB4 tetrahedra that share corners with four equivalent PB4 tetrahedra and corners with eight equivalent AsB4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-1008528

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; B2AsP; As-B-P

OSTI Identifier:: 1325057

DOI:: https://doi.org/10.17188/1325057

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                    The Materials Project. Materials Data on B2AsP by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1325057.

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                    The Materials Project. Materials Data on B2AsP by Materials Project.  United States.  doi:https://doi.org/10.17188/1325057

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                    The Materials Project. 2020.  
"Materials Data on B2AsP by Materials Project".  United States.  doi:https://doi.org/10.17188/1325057.  https://www.osti.gov/servlets/purl/1325057. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1325057,

  title        = {Materials Data on B2AsP by Materials Project},

  author       = {The Materials Project},

  abstractNote = {B2AsP is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. B3+ is bonded to two equivalent As3- and two equivalent P3- atoms to form corner-sharing BAs2P2 tetrahedra. Both B–As bond lengths are 2.06 Å. Both B–P bond lengths are 1.99 Å. As3- is bonded to four equivalent B3+ atoms to form AsB4 tetrahedra that share corners with four equivalent AsB4 tetrahedra and corners with eight equivalent PB4 tetrahedra. P3- is bonded to four equivalent B3+ atoms to form PB4 tetrahedra that share corners with four equivalent PB4 tetrahedra and corners with eight equivalent AsB4 tetrahedra.},

  doi          = {10.17188/1325057},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1325057

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