Materials Data on K3Cd16 by Materials Project

doi:10.17188/1706909

Title: Materials Data on K3Cd16 by Materials Project

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Abstract

K3Cd16 crystallizes in the tetragonal P4/nnc space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 8-coordinate geometry to two equivalent K and sixteen Cd atoms. Both K–K bond lengths are 3.91 Å. There are eight shorter (3.73 Å) and eight longer (4.15 Å) K–Cd bond lengths. In the second K site, K is bonded in a 12-coordinate geometry to two K and twelve Cd atoms. The K–K bond length is 3.75 Å. There are a spread of K–Cd bond distances ranging from 3.73–3.94 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded in a 11-coordinate geometry to three K and eight Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.89–3.20 Å. In the second Cd site, Cd is bonded in a 10-coordinate geometry to two K and eight Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.11–3.17 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1202778

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; K3Cd16; Cd-K

OSTI Identifier:: 1706909

DOI:: https://doi.org/10.17188/1706909

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                    The Materials Project. Materials Data on K3Cd16 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1706909.

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                    The Materials Project. Materials Data on K3Cd16 by Materials Project.  United States.  doi:https://doi.org/10.17188/1706909

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                    The Materials Project. 2020.  
"Materials Data on K3Cd16 by Materials Project".  United States.  doi:https://doi.org/10.17188/1706909.  https://www.osti.gov/servlets/purl/1706909. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1706909,

  title        = {Materials Data on K3Cd16 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K3Cd16 crystallizes in the tetragonal P4/nnc space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 8-coordinate geometry to two equivalent K and sixteen Cd atoms. Both K–K bond lengths are 3.91 Å. There are eight shorter (3.73 Å) and eight longer (4.15 Å) K–Cd bond lengths. In the second K site, K is bonded in a 12-coordinate geometry to two K and twelve Cd atoms. The K–K bond length is 3.75 Å. There are a spread of K–Cd bond distances ranging from 3.73–3.94 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded in a 11-coordinate geometry to three K and eight Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.89–3.20 Å. In the second Cd site, Cd is bonded in a 10-coordinate geometry to two K and eight Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.11–3.17 Å.},

  doi          = {10.17188/1706909},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1706909

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