Materials Data on K3Pr by Materials Project

doi:10.17188/1314898

Title: Materials Data on K3Pr by Materials Project

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Abstract

K3Pr 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 Pr atoms to form distorted KK8Pr4 cuboctahedra that share corners with four equivalent PrK12 cuboctahedra, corners with fourteen equivalent KK8Pr4 cuboctahedra, edges with six equivalent PrK12 cuboctahedra, edges with twelve equivalent KK8Pr4 cuboctahedra, faces with four equivalent PrK12 cuboctahedra, and faces with sixteen equivalent KK8Pr4 cuboctahedra. There are a spread of K–K bond distances ranging from 4.23–4.45 Å. All K–Pr bond lengths are 4.34 Å. Pr is bonded to twelve equivalent K atoms to form PrK12 cuboctahedra that share corners with six equivalent PrK12 cuboctahedra, corners with twelve equivalent KK8Pr4 cuboctahedra, edges with eighteen equivalent KK8Pr4 cuboctahedra, faces with eight equivalent PrK12 cuboctahedra, and faces with twelve equivalent KK8Pr4 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-975872

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; K3Pr; K-Pr

OSTI Identifier:: 1314898

DOI:: https://doi.org/10.17188/1314898

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                    The Materials Project. Materials Data on K3Pr by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314898.

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                    The Materials Project. Materials Data on K3Pr by Materials Project.  United States.  doi:https://doi.org/10.17188/1314898

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                    The Materials Project. 2020.  
"Materials Data on K3Pr by Materials Project".  United States.  doi:https://doi.org/10.17188/1314898.  https://www.osti.gov/servlets/purl/1314898. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1314898,

  title        = {Materials Data on K3Pr by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K3Pr 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 Pr atoms to form distorted KK8Pr4 cuboctahedra that share corners with four equivalent PrK12 cuboctahedra, corners with fourteen equivalent KK8Pr4 cuboctahedra, edges with six equivalent PrK12 cuboctahedra, edges with twelve equivalent KK8Pr4 cuboctahedra, faces with four equivalent PrK12 cuboctahedra, and faces with sixteen equivalent KK8Pr4 cuboctahedra. There are a spread of K–K bond distances ranging from 4.23–4.45 Å. All K–Pr bond lengths are 4.34 Å. Pr is bonded to twelve equivalent K atoms to form PrK12 cuboctahedra that share corners with six equivalent PrK12 cuboctahedra, corners with twelve equivalent KK8Pr4 cuboctahedra, edges with eighteen equivalent KK8Pr4 cuboctahedra, faces with eight equivalent PrK12 cuboctahedra, and faces with twelve equivalent KK8Pr4 cuboctahedra.},

  doi          = {10.17188/1314898},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1314898

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