Materials Data on KSe3 by Materials Project

doi:10.17188/1731880

Title: Materials Data on KSe3 by Materials Project

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Abstract

KSe3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. K is bonded in a 6-coordinate geometry to seven Se atoms. There are a spread of K–Se bond distances ranging from 3.37–3.75 Å. There are three inequivalent Se sites. In the first Se site, Se is bonded in a 4-coordinate geometry to two equivalent K and two Se atoms. There are one shorter (2.42 Å) and one longer (2.44 Å) Se–Se bond lengths. In the second Se site, Se is bonded in a distorted rectangular see-saw-like geometry to three equivalent K and one Se atom. The Se–Se bond length is 2.35 Å. In the third Se site, Se is bonded in a 4-coordinate geometry to two equivalent K and two Se atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-05

Other Number(s):: mp-1180659

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; KSe3; K-Se

OSTI Identifier:: 1731880

DOI:: https://doi.org/10.17188/1731880

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                    The Materials Project. Materials Data on KSe3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1731880.

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                    The Materials Project. Materials Data on KSe3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1731880

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                    The Materials Project. 2020.  
"Materials Data on KSe3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1731880.  https://www.osti.gov/servlets/purl/1731880. Pub date:Tue May 05 00:00:00 EDT 2020

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@article{osti_1731880,

  title        = {Materials Data on KSe3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KSe3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. K is bonded in a 6-coordinate geometry to seven Se atoms. There are a spread of K–Se bond distances ranging from 3.37–3.75 Å. There are three inequivalent Se sites. In the first Se site, Se is bonded in a 4-coordinate geometry to two equivalent K and two Se atoms. There are one shorter (2.42 Å) and one longer (2.44 Å) Se–Se bond lengths. In the second Se site, Se is bonded in a distorted rectangular see-saw-like geometry to three equivalent K and one Se atom. The Se–Se bond length is 2.35 Å. In the third Se site, Se is bonded in a 4-coordinate geometry to two equivalent K and two Se atoms.},

  doi          = {10.17188/1731880},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1731880

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