Materials Data on K3Y by Materials Project

doi:10.17188/1315201

Title: Materials Data on K3Y by Materials Project

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Abstract

K3Y is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K is bonded to eight equivalent K and four equivalent Y atoms to form distorted KK8Y4 cuboctahedra that share corners with four equivalent YK12 cuboctahedra, corners with fourteen equivalent KK8Y4 cuboctahedra, edges with six equivalent YK12 cuboctahedra, edges with twelve equivalent KK8Y4 cuboctahedra, faces with four equivalent YK12 cuboctahedra, and faces with sixteen equivalent KK8Y4 cuboctahedra. There are a spread of K–K bond distances ranging from 4.15–4.43 Å. There are two shorter (4.28 Å) and two longer (4.29 Å) K–Y bond lengths. Y is bonded to twelve equivalent K atoms to form YK12 cuboctahedra that share corners with six equivalent YK12 cuboctahedra, corners with twelve equivalent KK8Y4 cuboctahedra, edges with eighteen equivalent KK8Y4 cuboctahedra, faces with eight equivalent YK12 cuboctahedra, and faces with twelve equivalent KK8Y4 cuboctahedra.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-976373

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; K3Y; K-Y

OSTI Identifier:: 1315201

DOI:: https://doi.org/10.17188/1315201

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                    The Materials Project. Materials Data on K3Y by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1315201.

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                    The Materials Project. Materials Data on K3Y by Materials Project.  United States.  doi:https://doi.org/10.17188/1315201

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                    The Materials Project. 2020.  
"Materials Data on K3Y by Materials Project".  United States.  doi:https://doi.org/10.17188/1315201.  https://www.osti.gov/servlets/purl/1315201. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1315201,

  title        = {Materials Data on K3Y by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K3Y is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K is bonded to eight equivalent K and four equivalent Y atoms to form distorted KK8Y4 cuboctahedra that share corners with four equivalent YK12 cuboctahedra, corners with fourteen equivalent KK8Y4 cuboctahedra, edges with six equivalent YK12 cuboctahedra, edges with twelve equivalent KK8Y4 cuboctahedra, faces with four equivalent YK12 cuboctahedra, and faces with sixteen equivalent KK8Y4 cuboctahedra. There are a spread of K–K bond distances ranging from 4.15–4.43 Å. There are two shorter (4.28 Å) and two longer (4.29 Å) K–Y bond lengths. Y is bonded to twelve equivalent K atoms to form YK12 cuboctahedra that share corners with six equivalent YK12 cuboctahedra, corners with twelve equivalent KK8Y4 cuboctahedra, edges with eighteen equivalent KK8Y4 cuboctahedra, faces with eight equivalent YK12 cuboctahedra, and faces with twelve equivalent KK8Y4 cuboctahedra.},

  doi          = {10.17188/1315201},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1315201

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