Materials Data on KAs by Materials Project

doi:10.17188/1752684

Title: Materials Data on KAs by Materials Project

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Abstract

AsK crystallizes in the orthorhombic Pbcm space group. The structure is two-dimensional and consists of one AsK sheet oriented in the (0, 1, 0) direction. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six As1- atoms. There are a spread of K–As bond distances ranging from 3.39–3.48 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent As1- atoms. There are four shorter (3.39 Å) and two longer (3.47 Å) K–As bond lengths. There are two inequivalent As1- sites. In the first As1- site, As1- is bonded in a 8-coordinate geometry to six K1+ and two equivalent As1- atoms. Both As–As bond lengths are 2.57 Å. In the second As1- site, As1- is bonded in a 8-coordinate geometry to six equivalent K1+ and two equivalent As1- atoms. Both As–As bond lengths are 2.57 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-01

Other Number(s):: mp-1180998

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; KAs; As-K

OSTI Identifier:: 1752684

DOI:: https://doi.org/10.17188/1752684

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                    The Materials Project. Materials Data on KAs by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1752684.

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                    The Materials Project. Materials Data on KAs by Materials Project.  United States.  doi:https://doi.org/10.17188/1752684

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                    The Materials Project. 2020.  
"Materials Data on KAs by Materials Project".  United States.  doi:https://doi.org/10.17188/1752684.  https://www.osti.gov/servlets/purl/1752684. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1752684,

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

  author       = {The Materials Project},

  abstractNote = {AsK crystallizes in the orthorhombic Pbcm space group. The structure is two-dimensional and consists of one AsK sheet oriented in the (0, 1, 0) direction. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six As1- atoms. There are a spread of K–As bond distances ranging from 3.39–3.48 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent As1- atoms. There are four shorter (3.39 Å) and two longer (3.47 Å) K–As bond lengths. There are two inequivalent As1- sites. In the first As1- site, As1- is bonded in a 8-coordinate geometry to six K1+ and two equivalent As1- atoms. Both As–As bond lengths are 2.57 Å. In the second As1- site, As1- is bonded in a 8-coordinate geometry to six equivalent K1+ and two equivalent As1- atoms. Both As–As bond lengths are 2.57 Å.},

  doi          = {10.17188/1752684},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1752684

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