Materials Data on K5Bi4 by Materials Project

doi:10.17188/1758721

Title: Materials Data on K5Bi4 by Materials Project

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Abstract

K5Bi4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent K sites. In the first K site, K is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of K–Bi bond distances ranging from 3.78–3.87 Å. In the second K site, K is bonded in a 6-coordinate geometry to six Bi atoms. There are a spread of K–Bi bond distances ranging from 3.81–3.88 Å. In the third K site, K is bonded in a distorted square co-planar geometry to four equivalent Bi atoms. All K–Bi bond lengths are 3.61 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to seven K and two Bi atoms. There are one shorter (3.01 Å) and one longer (3.05 Å) Bi–Bi bond lengths. In the second Bi site, Bi is bonded in a 9-coordinate geometry to eight K and one Bi atom.

Authors:: The Materials Project

Publication Date:: 2020-09-03

Other Number(s):: mp-1205955

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; K5Bi4; Bi-K

OSTI Identifier:: 1758721

DOI:: https://doi.org/10.17188/1758721

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                    The Materials Project. Materials Data on K5Bi4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1758721.

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                    The Materials Project. Materials Data on K5Bi4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1758721

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                    The Materials Project. 2020.  
"Materials Data on K5Bi4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1758721.  https://www.osti.gov/servlets/purl/1758721. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1758721,

  title        = {Materials Data on K5Bi4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K5Bi4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent K sites. In the first K site, K is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of K–Bi bond distances ranging from 3.78–3.87 Å. In the second K site, K is bonded in a 6-coordinate geometry to six Bi atoms. There are a spread of K–Bi bond distances ranging from 3.81–3.88 Å. In the third K site, K is bonded in a distorted square co-planar geometry to four equivalent Bi atoms. All K–Bi bond lengths are 3.61 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to seven K and two Bi atoms. There are one shorter (3.01 Å) and one longer (3.05 Å) Bi–Bi bond lengths. In the second Bi site, Bi is bonded in a 9-coordinate geometry to eight K and one Bi atom.},

  doi          = {10.17188/1758721},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1758721

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