Materials Data on Ce5Al2Ru3 by Materials Project

doi:10.17188/1311139

Title: Materials Data on Ce5Al2Ru3 by Materials Project

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Abstract

Ce5Ru3Al2 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are four inequivalent Ce sites. In the first Ce site, Ce is bonded to three equivalent Ru and one Al atom to form distorted corner-sharing CeAlRu3 tetrahedra. All Ce–Ru bond lengths are 2.81 Å. The Ce–Al bond length is 3.24 Å. In the second Ce site, Ce is bonded in a 2-coordinate geometry to four Ru and four Al atoms. There are two shorter (2.77 Å) and two longer (3.28 Å) Ce–Ru bond lengths. There are a spread of Ce–Al bond distances ranging from 3.20–3.25 Å. In the third Ce site, Ce is bonded to three Ru and one Al atom to form distorted corner-sharing CeAlRu3 tetrahedra. There are two shorter (2.81 Å) and one longer (2.82 Å) Ce–Ru bond lengths. The Ce–Al bond length is 3.24 Å. In the fourth Ce site, Ce is bonded in a 2-coordinate geometry to four Ru and four Al atoms. There are a spread of Ce–Ru bond distances ranging from 2.76–3.29 Å. There are two shorter (3.21 Å) and two longer (3.24 Å) Ce–Al bond lengths. There are two inequivalent Ru sites. In the first Ru site, Ru is bondedmore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-865967

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; Ce5Al2Ru3; Al-Ce-Ru

OSTI Identifier:: 1311139

DOI:: https://doi.org/10.17188/1311139

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                    The Materials Project. Materials Data on Ce5Al2Ru3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1311139.

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                    The Materials Project. Materials Data on Ce5Al2Ru3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1311139

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                    The Materials Project. 2020.  
"Materials Data on Ce5Al2Ru3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1311139.  https://www.osti.gov/servlets/purl/1311139. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1311139,

  title        = {Materials Data on Ce5Al2Ru3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce5Ru3Al2 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are four inequivalent Ce sites. In the first Ce site, Ce is bonded to three equivalent Ru and one Al atom to form distorted corner-sharing CeAlRu3 tetrahedra. All Ce–Ru bond lengths are 2.81 Å. The Ce–Al bond length is 3.24 Å. In the second Ce site, Ce is bonded in a 2-coordinate geometry to four Ru and four Al atoms. There are two shorter (2.77 Å) and two longer (3.28 Å) Ce–Ru bond lengths. There are a spread of Ce–Al bond distances ranging from 3.20–3.25 Å. In the third Ce site, Ce is bonded to three Ru and one Al atom to form distorted corner-sharing CeAlRu3 tetrahedra. There are two shorter (2.81 Å) and one longer (2.82 Å) Ce–Ru bond lengths. The Ce–Al bond length is 3.24 Å. In the fourth Ce site, Ce is bonded in a 2-coordinate geometry to four Ru and four Al atoms. There are a spread of Ce–Ru bond distances ranging from 2.76–3.29 Å. There are two shorter (3.21 Å) and two longer (3.24 Å) Ce–Al bond lengths. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 8-coordinate geometry to six Ce and two equivalent Al atoms. Both Ru–Al bond lengths are 2.62 Å. In the second Ru site, Ru is bonded in a 8-coordinate geometry to six Ce and two Al atoms. Both Ru–Al bond lengths are 2.62 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to seven Ce and three equivalent Ru atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to seven Ce and three Ru atoms.},

  doi          = {10.17188/1311139},

  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/10.17188/1311139

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