Materials Data on BaEu3 by Materials Project

doi:10.17188/1749512

Title: Materials Data on BaEu3 by Materials Project

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Abstract

BaEu3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba is bonded to twelve Eu atoms to form BaEu12 cuboctahedra that share corners with four equivalent BaEu12 cuboctahedra, corners with eight equivalent EuBa4Eu8 cuboctahedra, edges with eight equivalent BaEu12 cuboctahedra, edges with sixteen equivalent EuBa4Eu8 cuboctahedra, faces with four equivalent BaEu12 cuboctahedra, and faces with fourteen EuBa4Eu8 cuboctahedra. There are four shorter (4.06 Å) and eight longer (4.13 Å) Ba–Eu bond lengths. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded to four equivalent Ba and eight Eu atoms to form EuBa4Eu8 cuboctahedra that share corners with twelve equivalent EuBa4Eu8 cuboctahedra, edges with eight equivalent BaEu12 cuboctahedra, edges with sixteen EuBa4Eu8 cuboctahedra, faces with four equivalent BaEu12 cuboctahedra, and faces with fourteen EuBa4Eu8 cuboctahedra. There are four shorter (4.06 Å) and four longer (4.13 Å) Eu–Eu bond lengths. In the second Eu site, Eu is bonded to four equivalent Ba and eight equivalent Eu atoms to form distorted EuBa4Eu8 cuboctahedra that share corners with four equivalent EuBa4Eu8 cuboctahedra, corners with eight equivalent BaEu12 cuboctahedra, edges with twenty-four EuBa4Eu8 cuboctahedra, faces with six equivalent BaEu12 cuboctahedra, and facesmore » with twelve EuBa4Eu8 cuboctahedra.« less

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1183387

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; BaEu3; Ba-Eu

OSTI Identifier:: 1749512

DOI:: https://doi.org/10.17188/1749512

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                    The Materials Project. Materials Data on BaEu3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1749512.

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                    The Materials Project. Materials Data on BaEu3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1749512

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                    The Materials Project. 2020.  
"Materials Data on BaEu3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1749512.  https://www.osti.gov/servlets/purl/1749512. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1749512,

  title        = {Materials Data on BaEu3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaEu3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba is bonded to twelve Eu atoms to form BaEu12 cuboctahedra that share corners with four equivalent BaEu12 cuboctahedra, corners with eight equivalent EuBa4Eu8 cuboctahedra, edges with eight equivalent BaEu12 cuboctahedra, edges with sixteen equivalent EuBa4Eu8 cuboctahedra, faces with four equivalent BaEu12 cuboctahedra, and faces with fourteen EuBa4Eu8 cuboctahedra. There are four shorter (4.06 Å) and eight longer (4.13 Å) Ba–Eu bond lengths. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded to four equivalent Ba and eight Eu atoms to form EuBa4Eu8 cuboctahedra that share corners with twelve equivalent EuBa4Eu8 cuboctahedra, edges with eight equivalent BaEu12 cuboctahedra, edges with sixteen EuBa4Eu8 cuboctahedra, faces with four equivalent BaEu12 cuboctahedra, and faces with fourteen EuBa4Eu8 cuboctahedra. There are four shorter (4.06 Å) and four longer (4.13 Å) Eu–Eu bond lengths. In the second Eu site, Eu is bonded to four equivalent Ba and eight equivalent Eu atoms to form distorted EuBa4Eu8 cuboctahedra that share corners with four equivalent EuBa4Eu8 cuboctahedra, corners with eight equivalent BaEu12 cuboctahedra, edges with twenty-four EuBa4Eu8 cuboctahedra, faces with six equivalent BaEu12 cuboctahedra, and faces with twelve EuBa4Eu8 cuboctahedra.},

  doi          = {10.17188/1749512},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1749512

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