Materials Data on Ce16Ru9 by Materials Project

doi:10.17188/1275656

Title: Materials Data on Ce16Ru9 by Materials Project

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Abstract

Ce16Ru9 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are seven inequivalent Ce sites. In the first Ce site, Ce is bonded in a 6-coordinate geometry to one Ce and six Ru atoms. The Ce–Ce bond length is 3.98 Å. There are a spread of Ce–Ru bond distances ranging from 3.06–3.18 Å. In the second Ce site, Ce is bonded in a 2-coordinate geometry to one Ce and four Ru atoms. The Ce–Ce bond length is 3.33 Å. There are a spread of Ce–Ru bond distances ranging from 2.59–3.13 Å. In the third Ce site, Ce is bonded to one Ce and four Ru atoms to form a mixture of distorted edge and corner-sharing CeCeRu4 trigonal pyramids. The Ce–Ce bond length is 3.48 Å. There are a spread of Ce–Ru bond distances ranging from 2.67–3.01 Å. In the fourth Ce site, Ce is bonded in a 4-coordinate geometry to one Ce and four Ru atoms. The Ce–Ce bond length is 3.79 Å. There are two shorter (2.86 Å) and two longer (3.20 Å) Ce–Ru bond lengths. In the fifth Ce site, Ce is bonded in a 5-coordinate geometry to five Ru atoms. There are a spreadmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-570369

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; Ce16Ru9; Ce-Ru

OSTI Identifier:: 1275656

DOI:: https://doi.org/10.17188/1275656

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                    The Materials Project. Materials Data on Ce16Ru9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275656.

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                    The Materials Project. Materials Data on Ce16Ru9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275656

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                    The Materials Project. 2020.  
"Materials Data on Ce16Ru9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275656.  https://www.osti.gov/servlets/purl/1275656. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1275656,

  title        = {Materials Data on Ce16Ru9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce16Ru9 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are seven inequivalent Ce sites. In the first Ce site, Ce is bonded in a 6-coordinate geometry to one Ce and six Ru atoms. The Ce–Ce bond length is 3.98 Å. There are a spread of Ce–Ru bond distances ranging from 3.06–3.18 Å. In the second Ce site, Ce is bonded in a 2-coordinate geometry to one Ce and four Ru atoms. The Ce–Ce bond length is 3.33 Å. There are a spread of Ce–Ru bond distances ranging from 2.59–3.13 Å. In the third Ce site, Ce is bonded to one Ce and four Ru atoms to form a mixture of distorted edge and corner-sharing CeCeRu4 trigonal pyramids. The Ce–Ce bond length is 3.48 Å. There are a spread of Ce–Ru bond distances ranging from 2.67–3.01 Å. In the fourth Ce site, Ce is bonded in a 4-coordinate geometry to one Ce and four Ru atoms. The Ce–Ce bond length is 3.79 Å. There are two shorter (2.86 Å) and two longer (3.20 Å) Ce–Ru bond lengths. In the fifth Ce site, Ce is bonded in a 5-coordinate geometry to five Ru atoms. There are a spread of Ce–Ru bond distances ranging from 2.65–3.44 Å. In the sixth Ce site, Ce is bonded in a 12-coordinate geometry to twelve Ce and six equivalent Ru atoms. All Ce–Ru bond lengths are 3.74 Å. In the seventh Ce site, Ce is bonded in a 6-coordinate geometry to twelve Ce and six equivalent Ru atoms. All Ce–Ru bond lengths are 3.88 Å. There are three inequivalent Ru sites. In the first Ru site, Ru is bonded in a 3-coordinate geometry to nine Ce atoms. In the second Ru site, Ru is bonded in a 7-coordinate geometry to nine Ce atoms. In the third Ru site, Ru is bonded in a 7-coordinate geometry to seven Ce atoms.},

  doi          = {10.17188/1275656},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1275656

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