Materials Data on LiEu3 by Materials Project

doi:10.17188/1748354

Title: Materials Data on LiEu3 by Materials Project

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Abstract

LiEu3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li is bonded to twelve Eu atoms to form LiEu12 cuboctahedra that share corners with four equivalent LiEu12 cuboctahedra, corners with eight equivalent EuLi4Eu8 cuboctahedra, edges with eight equivalent LiEu12 cuboctahedra, edges with sixteen equivalent EuLi4Eu8 cuboctahedra, faces with four equivalent LiEu12 cuboctahedra, and faces with fourteen EuLi4Eu8 cuboctahedra. There are four shorter (3.68 Å) and eight longer (3.87 Å) Li–Eu bond lengths. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded to four equivalent Li and eight Eu atoms to form EuLi4Eu8 cuboctahedra that share corners with twelve equivalent EuLi4Eu8 cuboctahedra, edges with eight equivalent LiEu12 cuboctahedra, edges with sixteen EuLi4Eu8 cuboctahedra, faces with four equivalent LiEu12 cuboctahedra, and faces with fourteen EuLi4Eu8 cuboctahedra. There are four shorter (3.68 Å) and four longer (3.87 Å) Eu–Eu bond lengths. In the second Eu site, Eu is bonded to four equivalent Li and eight equivalent Eu atoms to form distorted EuLi4Eu8 cuboctahedra that share corners with four equivalent EuLi4Eu8 cuboctahedra, corners with eight equivalent LiEu12 cuboctahedra, edges with twenty-four EuLi4Eu8 cuboctahedra, faces with six equivalent LiEu12 cuboctahedra, and facesmore » with twelve EuLi4Eu8 cuboctahedra.« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1185411

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; LiEu3; Eu-Li

OSTI Identifier:: 1748354

DOI:: https://doi.org/10.17188/1748354

Citation Formats


                    The Materials Project. Materials Data on LiEu3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1748354.

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                    The Materials Project. Materials Data on LiEu3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1748354

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                    The Materials Project. 2020.  
"Materials Data on LiEu3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1748354.  https://www.osti.gov/servlets/purl/1748354. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1748354,

  title        = {Materials Data on LiEu3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiEu3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li is bonded to twelve Eu atoms to form LiEu12 cuboctahedra that share corners with four equivalent LiEu12 cuboctahedra, corners with eight equivalent EuLi4Eu8 cuboctahedra, edges with eight equivalent LiEu12 cuboctahedra, edges with sixteen equivalent EuLi4Eu8 cuboctahedra, faces with four equivalent LiEu12 cuboctahedra, and faces with fourteen EuLi4Eu8 cuboctahedra. There are four shorter (3.68 Å) and eight longer (3.87 Å) Li–Eu bond lengths. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded to four equivalent Li and eight Eu atoms to form EuLi4Eu8 cuboctahedra that share corners with twelve equivalent EuLi4Eu8 cuboctahedra, edges with eight equivalent LiEu12 cuboctahedra, edges with sixteen EuLi4Eu8 cuboctahedra, faces with four equivalent LiEu12 cuboctahedra, and faces with fourteen EuLi4Eu8 cuboctahedra. There are four shorter (3.68 Å) and four longer (3.87 Å) Eu–Eu bond lengths. In the second Eu site, Eu is bonded to four equivalent Li and eight equivalent Eu atoms to form distorted EuLi4Eu8 cuboctahedra that share corners with four equivalent EuLi4Eu8 cuboctahedra, corners with eight equivalent LiEu12 cuboctahedra, edges with twenty-four EuLi4Eu8 cuboctahedra, faces with six equivalent LiEu12 cuboctahedra, and faces with twelve EuLi4Eu8 cuboctahedra.},

  doi          = {10.17188/1748354},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1748354

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