Materials Data on KRb3 by Materials Project

doi:10.17188/1314127

Title: Materials Data on KRb3 by Materials Project

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Abstract

Rb3K crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 12-coordinate geometry to eight Rb atoms. There are four shorter (4.86 Å) and four longer (5.04 Å) Rb–Rb bond lengths. In the second Rb site, Rb is bonded to eight equivalent Rb and four equivalent K atoms to form a mixture of corner, edge, and face-sharing RbK4Rb8 cuboctahedra. All Rb–K bond lengths are 4.86 Å. K is bonded in a square co-planar geometry to four equivalent Rb atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-973508

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; KRb3; K-Rb

OSTI Identifier:: 1314127

DOI:: https://doi.org/10.17188/1314127

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                    The Materials Project. Materials Data on KRb3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314127.

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                    The Materials Project. Materials Data on KRb3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1314127

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                    The Materials Project. 2020.  
"Materials Data on KRb3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1314127.  https://www.osti.gov/servlets/purl/1314127. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1314127,

  title        = {Materials Data on KRb3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb3K crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 12-coordinate geometry to eight Rb atoms. There are four shorter (4.86 Å) and four longer (5.04 Å) Rb–Rb bond lengths. In the second Rb site, Rb is bonded to eight equivalent Rb and four equivalent K atoms to form a mixture of corner, edge, and face-sharing RbK4Rb8 cuboctahedra. All Rb–K bond lengths are 4.86 Å. K is bonded in a square co-planar geometry to four equivalent Rb atoms.},

  doi          = {10.17188/1314127},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1314127

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