Materials Data on TaBe4Mo by Materials Project

doi:10.17188/1748666

Title: Materials Data on TaBe4Mo by Materials Project

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Abstract

Be4TaMo crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are three inequivalent Be sites. In the first Be site, Be is bonded to six equivalent Be and six equivalent Mo atoms to form BeBe6Mo6 cuboctahedra that share corners with twelve equivalent BeTa3Be6Mo3 cuboctahedra, edges with six equivalent BeBe6Mo6 cuboctahedra, and faces with twenty BeTa6Be6 cuboctahedra. All Be–Be bond lengths are 2.27 Å. All Be–Mo bond lengths are 2.66 Å. In the second Be site, Be is bonded to six equivalent Be and six equivalent Ta atoms to form BeTa6Be6 cuboctahedra that share corners with twelve equivalent BeTa3Be6Mo3 cuboctahedra, edges with six equivalent BeTa6Be6 cuboctahedra, and faces with twenty BeBe6Mo6 cuboctahedra. All Be–Be bond lengths are 2.31 Å. All Be–Ta bond lengths are 2.68 Å. In the third Be site, Be is bonded to six Be, three equivalent Ta, and three equivalent Mo atoms to form BeTa3Be6Mo3 cuboctahedra that share corners with eighteen BeBe6Mo6 cuboctahedra, edges with six equivalent BeTa3Be6Mo3 cuboctahedra, and faces with eighteen BeBe6Mo6 cuboctahedra. There are two shorter (2.22 Å) and two longer (2.33 Å) Be–Be bond lengths. There are two shorter (2.64 Å) and one longer (2.72 Å) Be–Ta bond lengths. There aremore »« less

Authors:: The Materials Project

Publication Date:: Mon May 04 00:00:00 EDT 2020

Other Number(s):: mp-1217980

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; TaBe4Mo; Be-Mo-Ta

OSTI Identifier:: 1748666

DOI:: https://doi.org/10.17188/1748666

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                    The Materials Project. Materials Data on TaBe4Mo by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1748666.

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                    The Materials Project. Materials Data on TaBe4Mo by Materials Project.  United States.  doi:https://doi.org/10.17188/1748666

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                    The Materials Project. 2020.  
"Materials Data on TaBe4Mo by Materials Project".  United States.  doi:https://doi.org/10.17188/1748666.  https://www.osti.gov/servlets/purl/1748666. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1748666,

  title        = {Materials Data on TaBe4Mo by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Be4TaMo crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are three inequivalent Be sites. In the first Be site, Be is bonded to six equivalent Be and six equivalent Mo atoms to form BeBe6Mo6 cuboctahedra that share corners with twelve equivalent BeTa3Be6Mo3 cuboctahedra, edges with six equivalent BeBe6Mo6 cuboctahedra, and faces with twenty BeTa6Be6 cuboctahedra. All Be–Be bond lengths are 2.27 Å. All Be–Mo bond lengths are 2.66 Å. In the second Be site, Be is bonded to six equivalent Be and six equivalent Ta atoms to form BeTa6Be6 cuboctahedra that share corners with twelve equivalent BeTa3Be6Mo3 cuboctahedra, edges with six equivalent BeTa6Be6 cuboctahedra, and faces with twenty BeBe6Mo6 cuboctahedra. All Be–Be bond lengths are 2.31 Å. All Be–Ta bond lengths are 2.68 Å. In the third Be site, Be is bonded to six Be, three equivalent Ta, and three equivalent Mo atoms to form BeTa3Be6Mo3 cuboctahedra that share corners with eighteen BeBe6Mo6 cuboctahedra, edges with six equivalent BeTa3Be6Mo3 cuboctahedra, and faces with eighteen BeBe6Mo6 cuboctahedra. There are two shorter (2.22 Å) and two longer (2.33 Å) Be–Be bond lengths. There are two shorter (2.64 Å) and one longer (2.72 Å) Be–Ta bond lengths. There are one shorter (2.61 Å) and two longer (2.66 Å) Be–Mo bond lengths. Ta is bonded in a 1-coordinate geometry to twelve Be, three equivalent Ta, and one Mo atom. All Ta–Ta bond lengths are 2.83 Å. The Ta–Mo bond length is 2.72 Å. Mo is bonded in a 10-coordinate geometry to twelve Be and one Ta atom.},

  doi          = {10.17188/1748666},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon May 04 00:00:00 EDT 2020},

  month        = {Mon May 04 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1748666

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