Materials Data on K3(Na13In24)2 by Materials Project

doi:10.17188/1283888

Title: Materials Data on K3(Na13In24)2 by Materials Project

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Abstract

K3(Na13In24)2 is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. K is bonded in a 4-coordinate geometry to eight Na and twelve In atoms. There are four shorter (4.03 Å) and four longer (4.10 Å) K–Na bond lengths. There are four shorter (3.99 Å) and eight longer (4.21 Å) K–In bond lengths. There are four inequivalent Na sites. In the first Na site, Na is bonded in a 9-coordinate geometry to four Na and twelve In atoms. There are one shorter (3.46 Å) and three longer (3.67 Å) Na–Na bond lengths. There are a spread of Na–In bond distances ranging from 3.53–3.79 Å. In the second Na site, Na is bonded in a 3-coordinate geometry to one K, three Na, and ten In atoms. The Na–Na bond length is 3.84 Å. There are a spread of Na–In bond distances ranging from 3.32–3.72 Å. In the third Na site, Na is bonded in a 8-coordinate geometry to two equivalent K, four equivalent Na, and eight equivalent In atoms. All Na–In bond lengths are 3.41 Å. In the fourth Na site, Na is bonded in a 12-coordinate geometry to two equivalent K andmore »« less

Authors:: The Materials Project

Publication Date:: Sat Mar 21 00:00:00 EDT 2015

Other Number(s):: mp-684127

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; K3(Na13In24)2; In-K-Na

OSTI Identifier:: 1283888

DOI:: https://doi.org/10.17188/1283888

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                    The Materials Project. Materials Data on K3(Na13In24)2 by Materials Project.  United States: N. p., 2015. 
        Web.  doi:10.17188/1283888.

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                    The Materials Project. Materials Data on K3(Na13In24)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1283888

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                    The Materials Project. 2015.  
"Materials Data on K3(Na13In24)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1283888.  https://www.osti.gov/servlets/purl/1283888. Pub date:Sat Mar 21 00:00:00 EDT 2015

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@article{osti_1283888,

  title        = {Materials Data on K3(Na13In24)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K3(Na13In24)2 is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. K is bonded in a 4-coordinate geometry to eight Na and twelve In atoms. There are four shorter (4.03 Å) and four longer (4.10 Å) K–Na bond lengths. There are four shorter (3.99 Å) and eight longer (4.21 Å) K–In bond lengths. There are four inequivalent Na sites. In the first Na site, Na is bonded in a 9-coordinate geometry to four Na and twelve In atoms. There are one shorter (3.46 Å) and three longer (3.67 Å) Na–Na bond lengths. There are a spread of Na–In bond distances ranging from 3.53–3.79 Å. In the second Na site, Na is bonded in a 3-coordinate geometry to one K, three Na, and ten In atoms. The Na–Na bond length is 3.84 Å. There are a spread of Na–In bond distances ranging from 3.32–3.72 Å. In the third Na site, Na is bonded in a 8-coordinate geometry to two equivalent K, four equivalent Na, and eight equivalent In atoms. All Na–In bond lengths are 3.41 Å. In the fourth Na site, Na is bonded in a 12-coordinate geometry to two equivalent K and twelve In atoms. There are four shorter (3.30 Å) and eight longer (3.48 Å) Na–In bond lengths. There are three inequivalent In sites. In the first In site, In is bonded in a 11-coordinate geometry to one K, six Na, and five In atoms. There are a spread of In–In bond distances ranging from 3.11–3.24 Å. In the second In site, In is bonded in a 12-coordinate geometry to one K, six Na, and five In atoms. The In–In bond length is 2.95 Å. In the third In site, In is bonded in a 11-coordinate geometry to five Na and six In atoms. There are one shorter (3.05 Å) and four longer (3.11 Å) In–In bond lengths.},

  doi          = {10.17188/1283888},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Mar 21 00:00:00 EDT 2015},

  month        = {Sat Mar 21 00:00:00 EDT 2015}

}

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DOI: https://doi.org/10.17188/1283888

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