Materials Data on KAgSe by Materials Project

doi:10.17188/1191688

Title: Materials Data on KAgSe by Materials Project

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Abstract

KAgSe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to four equivalent Ag1+ and five equivalent Se2- atoms. All K–Ag bond lengths are 3.47 Å. There are four shorter (3.36 Å) and one longer (3.48 Å) K–Se bond lengths. Ag1+ is bonded to four equivalent K1+ and four equivalent Se2- atoms to form a mixture of distorted edge and face-sharing AgK4Se4 tetrahedra. All Ag–Se bond lengths are 2.83 Å. Se2- is bonded in a 9-coordinate geometry to five equivalent K1+ and four equivalent Ag1+ atoms.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-16236

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; KAgSe; Ag-K-Se

OSTI Identifier:: 1191688

DOI:: https://doi.org/10.17188/1191688

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                    The Materials Project. Materials Data on KAgSe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1191688.

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                    The Materials Project. Materials Data on KAgSe by Materials Project.  United States.  doi:https://doi.org/10.17188/1191688

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                    The Materials Project. 2020.  
"Materials Data on KAgSe by Materials Project".  United States.  doi:https://doi.org/10.17188/1191688.  https://www.osti.gov/servlets/purl/1191688. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1191688,

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

  author       = {The Materials Project},

  abstractNote = {KAgSe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to four equivalent Ag1+ and five equivalent Se2- atoms. All K–Ag bond lengths are 3.47 Å. There are four shorter (3.36 Å) and one longer (3.48 Å) K–Se bond lengths. Ag1+ is bonded to four equivalent K1+ and four equivalent Se2- atoms to form a mixture of distorted edge and face-sharing AgK4Se4 tetrahedra. All Ag–Se bond lengths are 2.83 Å. Se2- is bonded in a 9-coordinate geometry to five equivalent K1+ and four equivalent Ag1+ atoms.},

  doi          = {10.17188/1191688},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1191688

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