Materials Data on KBi by Materials Project

doi:10.17188/1205429

Title: Materials Data on KBi by Materials Project

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Abstract

KBi is Magnesium tetraboride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent K sites. In the first 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 3.64–3.91 Å. In the second K site, K is bonded in a 6-coordinate geometry to seven Bi atoms. There are a spread of K–Bi bond distances ranging from 3.67–4.13 Å. In the third 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 3.68–4.07 Å. In the fourth 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 3.65–3.92 Å. There are four inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to seven K and two equivalent Bi atoms. There are one shorter (3.06 Å) and one longer (3.11 Å) Bi–Bi bond lengths. In the second Bi site, Bi is bonded in a 8-coordinate geometry to six K and two equivalent Bi atoms. In the third Bi site,more »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-31104

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; KBi; Bi-K

OSTI Identifier:: 1205429

DOI:: https://doi.org/10.17188/1205429

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                    The Materials Project. Materials Data on KBi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205429.

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                    The Materials Project. Materials Data on KBi by Materials Project.  United States.  doi:https://doi.org/10.17188/1205429

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                    The Materials Project. 2020.  
"Materials Data on KBi by Materials Project".  United States.  doi:https://doi.org/10.17188/1205429.  https://www.osti.gov/servlets/purl/1205429. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1205429,

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

  author       = {The Materials Project},

  abstractNote = {KBi is Magnesium tetraboride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent K sites. In the first 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 3.64–3.91 Å. In the second K site, K is bonded in a 6-coordinate geometry to seven Bi atoms. There are a spread of K–Bi bond distances ranging from 3.67–4.13 Å. In the third 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 3.68–4.07 Å. In the fourth 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 3.65–3.92 Å. There are four inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to seven K and two equivalent Bi atoms. There are one shorter (3.06 Å) and one longer (3.11 Å) Bi–Bi bond lengths. In the second Bi site, Bi is bonded in a 8-coordinate geometry to six K and two equivalent Bi atoms. In the third Bi site, Bi is bonded in a 9-coordinate geometry to seven K and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.07 Å. In the fourth Bi site, Bi is bonded in a 8-coordinate geometry to six K and two equivalent Bi atoms.},

  doi          = {10.17188/1205429},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1205429

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