Materials Data on Be17Ru3 by Materials Project

doi:10.17188/1204851

Title: Materials Data on Be17Ru3 by Materials Project

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Abstract

Be17Ru3 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. there are six inequivalent Be sites. In the first Be site, Be is bonded in a 2-coordinate geometry to nine Be and two equivalent Ru atoms. There are a spread of Be–Be bond distances ranging from 2.20–2.46 Å. Both Be–Ru bond lengths are 2.42 Å. In the second Be site, Be is bonded to nine Be and three equivalent Ru atoms to form a mixture of edge and face-sharing BeBe9Ru3 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.05–2.23 Å. There are one shorter (2.51 Å) and two longer (2.53 Å) Be–Ru bond lengths. In the third Be site, Be is bonded to ten Be and two equivalent Ru atoms to form distorted BeBe10Ru2 cuboctahedra that share corners with four equivalent BeBe10Ru2 cuboctahedra, an edgeedge with one BeBe10Ru2 cuboctahedra, and faces with six equivalent BeBe9Ru3 cuboctahedra. All Be–Be bond lengths are 2.21 Å. Both Be–Ru bond lengths are 2.61 Å. In the fourth Be site, Be is bonded in a 9-coordinate geometry to six Be and three equivalent Ru atoms. There are three shorter (2.12 Å) and three longer (2.17 Å) Be–Be bond lengths. Allmore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-30443

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; Be17Ru3; Be-Ru

OSTI Identifier:: 1204851

DOI:: https://doi.org/10.17188/1204851

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                    The Materials Project. Materials Data on Be17Ru3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204851.

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                    The Materials Project. Materials Data on Be17Ru3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204851

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                    The Materials Project. 2020.  
"Materials Data on Be17Ru3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204851.  https://www.osti.gov/servlets/purl/1204851. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1204851,

  title        = {Materials Data on Be17Ru3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Be17Ru3 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. there are six inequivalent Be sites. In the first Be site, Be is bonded in a 2-coordinate geometry to nine Be and two equivalent Ru atoms. There are a spread of Be–Be bond distances ranging from 2.20–2.46 Å. Both Be–Ru bond lengths are 2.42 Å. In the second Be site, Be is bonded to nine Be and three equivalent Ru atoms to form a mixture of edge and face-sharing BeBe9Ru3 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.05–2.23 Å. There are one shorter (2.51 Å) and two longer (2.53 Å) Be–Ru bond lengths. In the third Be site, Be is bonded to ten Be and two equivalent Ru atoms to form distorted BeBe10Ru2 cuboctahedra that share corners with four equivalent BeBe10Ru2 cuboctahedra, an edgeedge with one BeBe10Ru2 cuboctahedra, and faces with six equivalent BeBe9Ru3 cuboctahedra. All Be–Be bond lengths are 2.21 Å. Both Be–Ru bond lengths are 2.61 Å. In the fourth Be site, Be is bonded in a 9-coordinate geometry to six Be and three equivalent Ru atoms. There are three shorter (2.12 Å) and three longer (2.17 Å) Be–Be bond lengths. All Be–Ru bond lengths are 2.44 Å. In the fifth Be site, Be is bonded in a 10-coordinate geometry to seven Be and three equivalent Ru atoms. There are one shorter (2.17 Å) and two longer (2.21 Å) Be–Be bond lengths. There are a spread of Be–Ru bond distances ranging from 2.39–2.47 Å. In the sixth Be site, Be is bonded in a distorted q6 geometry to six Be and three equivalent Ru atoms. The Be–Be bond length is 2.12 Å. There are one shorter (2.40 Å) and two longer (2.51 Å) Be–Ru bond lengths. Ru is bonded in a 4-coordinate geometry to sixteen Be atoms.},

  doi          = {10.17188/1204851},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1204851

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