Materials Data on K3Nd by Materials Project

doi:10.17188/1314894

Title: Materials Data on K3Nd by Materials Project

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Abstract

K3Nd 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 Nd atoms to form distorted KK8Nd4 cuboctahedra that share corners with four equivalent NdK12 cuboctahedra, corners with fourteen equivalent KK8Nd4 cuboctahedra, edges with six equivalent NdK12 cuboctahedra, edges with twelve equivalent KK8Nd4 cuboctahedra, faces with four equivalent NdK12 cuboctahedra, and faces with sixteen equivalent KK8Nd4 cuboctahedra. There are a spread of K–K bond distances ranging from 4.22–4.44 Å. There are two shorter (4.33 Å) and two longer (4.34 Å) K–Nd bond lengths. Nd is bonded to twelve equivalent K atoms to form NdK12 cuboctahedra that share corners with six equivalent NdK12 cuboctahedra, corners with twelve equivalent KK8Nd4 cuboctahedra, edges with eighteen equivalent KK8Nd4 cuboctahedra, faces with eight equivalent NdK12 cuboctahedra, and faces with twelve equivalent KK8Nd4 cuboctahedra.

Publication Date:: 2020-07-18

Other Number(s):: mp-975838

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; K-Nd; K3Nd; crystal structure

OSTI Identifier:: 1314894

DOI:: https://doi.org/10.17188/1314894

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                    Materials Data on K3Nd by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314894.

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                    Materials Data on K3Nd by Materials Project.  United States.  doi:https://doi.org/10.17188/1314894

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                    2020.  
"Materials Data on K3Nd by Materials Project".  United States.  doi:https://doi.org/10.17188/1314894.  https://www.osti.gov/servlets/purl/1314894. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1314894,

  title        = {Materials Data on K3Nd by Materials Project},

  
  abstractNote = {K3Nd 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 Nd atoms to form distorted KK8Nd4 cuboctahedra that share corners with four equivalent NdK12 cuboctahedra, corners with fourteen equivalent KK8Nd4 cuboctahedra, edges with six equivalent NdK12 cuboctahedra, edges with twelve equivalent KK8Nd4 cuboctahedra, faces with four equivalent NdK12 cuboctahedra, and faces with sixteen equivalent KK8Nd4 cuboctahedra. There are a spread of K–K bond distances ranging from 4.22–4.44 Å. There are two shorter (4.33 Å) and two longer (4.34 Å) K–Nd bond lengths. Nd is bonded to twelve equivalent K atoms to form NdK12 cuboctahedra that share corners with six equivalent NdK12 cuboctahedra, corners with twelve equivalent KK8Nd4 cuboctahedra, edges with eighteen equivalent KK8Nd4 cuboctahedra, faces with eight equivalent NdK12 cuboctahedra, and faces with twelve equivalent KK8Nd4 cuboctahedra.},

  doi          = {10.17188/1314894},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1314894

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