Materials Data on K5Pb24 by Materials Project

doi:10.17188/1197060

Title: Materials Data on K5Pb24 by Materials Project

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Abstract

K5Pb24 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 3-coordinate geometry to one K and twelve Pb atoms. The K–K bond length is 3.96 Å. There are a spread of K–Pb bond distances ranging from 3.58–3.98 Å. In the second K site, K is bonded in a 12-coordinate geometry to four equivalent K and twelve equivalent Pb atoms. All K–Pb bond lengths are 4.07 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a distorted single-bond geometry to one K and five equivalent Pb atoms. There are a spread of Pb–Pb bond distances ranging from 3.19–3.65 Å. In the second Pb site, Pb is bonded in a 12-coordinate geometry to four K and eight Pb atoms. There are one shorter (3.39 Å) and two longer (3.54 Å) Pb–Pb bond lengths.

Authors:: The Materials Project

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

Other Number(s):: mp-21613

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; K5Pb24; K-Pb

OSTI Identifier:: 1197060

DOI:: https://doi.org/10.17188/1197060

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                    The Materials Project. Materials Data on K5Pb24 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197060.

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                    The Materials Project. Materials Data on K5Pb24 by Materials Project.  United States.  doi:https://doi.org/10.17188/1197060

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                    The Materials Project. 2020.  
"Materials Data on K5Pb24 by Materials Project".  United States.  doi:https://doi.org/10.17188/1197060.  https://www.osti.gov/servlets/purl/1197060. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1197060,

  title        = {Materials Data on K5Pb24 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K5Pb24 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 3-coordinate geometry to one K and twelve Pb atoms. The K–K bond length is 3.96 Å. There are a spread of K–Pb bond distances ranging from 3.58–3.98 Å. In the second K site, K is bonded in a 12-coordinate geometry to four equivalent K and twelve equivalent Pb atoms. All K–Pb bond lengths are 4.07 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a distorted single-bond geometry to one K and five equivalent Pb atoms. There are a spread of Pb–Pb bond distances ranging from 3.19–3.65 Å. In the second Pb site, Pb is bonded in a 12-coordinate geometry to four K and eight Pb atoms. There are one shorter (3.39 Å) and two longer (3.54 Å) Pb–Pb bond lengths.},

  doi          = {10.17188/1197060},

  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/10.17188/1197060

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