Materials Data on Be10Ru3 by Materials Project

doi:10.17188/1705944

Title: Materials Data on Be10Ru3 by Materials Project

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Abstract

Be10Ru3 is beta Plutonium-derived structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are thirteen inequivalent Be sites. In the first Be site, Be is bonded in a 10-coordinate geometry to four Be and six Ru atoms. There are a spread of Be–Be bond distances ranging from 2.33–2.43 Å. There are a spread of Be–Ru bond distances ranging from 2.43–2.75 Å. In the second Be site, Be is bonded in a 12-coordinate geometry to nine Be and three Ru atoms. There are a spread of Be–Be bond distances ranging from 2.19–2.54 Å. There are two shorter (2.36 Å) and one longer (2.37 Å) Be–Ru bond lengths. In the third Be site, Be is bonded in a 12-coordinate geometry to seven Be and five Ru atoms. There are a spread of Be–Be bond distances ranging from 2.25–2.57 Å. There are a spread of Be–Ru bond distances ranging from 2.46–2.83 Å. In the fourth Be site, Be is bonded in a 2-coordinate geometry to eight Be and two equivalent Ru atoms. There are a spread of Be–Be bond distances ranging from 2.29–2.44 Å. Both Be–Ru bond lengths are 2.40 Å. In the fifth Be site, Be ismore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-13

Other Number(s):: mp-1227533

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; Be10Ru3; Be-Ru

OSTI Identifier:: 1705944

DOI:: https://doi.org/10.17188/1705944

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                    The Materials Project. Materials Data on Be10Ru3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1705944.

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                    The Materials Project. Materials Data on Be10Ru3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1705944

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                    The Materials Project. 2019.  
"Materials Data on Be10Ru3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1705944.  https://www.osti.gov/servlets/purl/1705944. Pub date:Sun Jan 13 00:00:00 EST 2019

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@article{osti_1705944,

  title        = {Materials Data on Be10Ru3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Be10Ru3 is beta Plutonium-derived structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are thirteen inequivalent Be sites. In the first Be site, Be is bonded in a 10-coordinate geometry to four Be and six Ru atoms. There are a spread of Be–Be bond distances ranging from 2.33–2.43 Å. There are a spread of Be–Ru bond distances ranging from 2.43–2.75 Å. In the second Be site, Be is bonded in a 12-coordinate geometry to nine Be and three Ru atoms. There are a spread of Be–Be bond distances ranging from 2.19–2.54 Å. There are two shorter (2.36 Å) and one longer (2.37 Å) Be–Ru bond lengths. In the third Be site, Be is bonded in a 12-coordinate geometry to seven Be and five Ru atoms. There are a spread of Be–Be bond distances ranging from 2.25–2.57 Å. There are a spread of Be–Ru bond distances ranging from 2.46–2.83 Å. In the fourth Be site, Be is bonded in a 2-coordinate geometry to eight Be and two equivalent Ru atoms. There are a spread of Be–Be bond distances ranging from 2.29–2.44 Å. Both Be–Ru bond lengths are 2.40 Å. In the fifth Be site, Be is bonded in a 12-coordinate geometry to five Be and three Ru atoms. There are a spread of Be–Be bond distances ranging from 2.12–2.42 Å. There are a spread of Be–Ru bond distances ranging from 2.32–2.46 Å. In the sixth Be site, Be is bonded in a 1-coordinate geometry to four Be and two Ru atoms. The Be–Be bond length is 2.17 Å. There are one shorter (2.31 Å) and one longer (2.55 Å) Be–Ru bond lengths. In the seventh Be site, Be is bonded in a 2-coordinate geometry to six Be and four Ru atoms. All Be–Be bond lengths are 2.36 Å. There are a spread of Be–Ru bond distances ranging from 2.27–2.58 Å. In the eighth Be site, Be is bonded in a 10-coordinate geometry to six Be and four Ru atoms. There are a spread of Be–Be bond distances ranging from 2.24–2.54 Å. There are a spread of Be–Ru bond distances ranging from 2.32–2.48 Å. In the ninth Be site, Be is bonded in a distorted bent 150 degrees geometry to three Be and two Ru atoms. There are one shorter (2.30 Å) and one longer (2.39 Å) Be–Ru bond lengths. In the tenth Be site, Be is bonded in a 11-coordinate geometry to four Be and three Ru atoms. There are a spread of Be–Ru bond distances ranging from 2.31–2.46 Å. In the eleventh Be site, Be is bonded in a 2-coordinate geometry to three Be and three Ru atoms. There are a spread of Be–Ru bond distances ranging from 2.24–2.60 Å. In the twelfth Be site, Be is bonded in a 10-coordinate geometry to two Be and four Ru atoms. There are a spread of Be–Ru bond distances ranging from 2.19–2.52 Å. In the thirteenth Be site, Be is bonded in a 3-coordinate geometry to four Be and three Ru atoms. There are a spread of Be–Ru bond distances ranging from 2.29–2.35 Å. There are four inequivalent Ru sites. In the first Ru site, Ru is bonded in a 12-coordinate geometry to thirteen Be atoms. In the second Ru site, Ru is bonded in a 12-coordinate geometry to ten Be and two equivalent Ru atoms. Both Ru–Ru bond lengths are 2.54 Å. In the third Ru site, Ru is bonded in a 11-coordinate geometry to twelve Be atoms. In the fourth Ru site, Ru is bonded in a 11-coordinate geometry to eleven Be and one Ru atom.},

  doi          = {10.17188/1705944},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1705944

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