Materials Data on Ce3Ru by Materials Project

doi:10.17188/1281810

Title: Materials Data on Ce3Ru by Materials Project

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Abstract

Ce3Ru is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Ce3Ru sheets oriented in the (0, 0, 1) direction. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 2-coordinate geometry to two equivalent Ru atoms. Both Ce–Ru bond lengths are 2.87 Å. In the second Ce site, Ce is bonded in a bent 150 degrees geometry to two equivalent Ru atoms. There are one shorter (2.60 Å) and one longer (2.82 Å) Ce–Ru bond lengths. Ru is bonded in a 6-coordinate geometry to six Ce atoms.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-672261

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; Ce3Ru; Ce-Ru

OSTI Identifier:: 1281810

DOI:: https://doi.org/10.17188/1281810

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                    The Materials Project. Materials Data on Ce3Ru by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1281810.

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                    The Materials Project. Materials Data on Ce3Ru by Materials Project.  United States.  doi:https://doi.org/10.17188/1281810

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                    The Materials Project. 2020.  
"Materials Data on Ce3Ru by Materials Project".  United States.  doi:https://doi.org/10.17188/1281810.  https://www.osti.gov/servlets/purl/1281810. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1281810,

  title        = {Materials Data on Ce3Ru by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce3Ru is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Ce3Ru sheets oriented in the (0, 0, 1) direction. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 2-coordinate geometry to two equivalent Ru atoms. Both Ce–Ru bond lengths are 2.87 Å. In the second Ce site, Ce is bonded in a bent 150 degrees geometry to two equivalent Ru atoms. There are one shorter (2.60 Å) and one longer (2.82 Å) Ce–Ru bond lengths. Ru is bonded in a 6-coordinate geometry to six Ce atoms.},

  doi          = {10.17188/1281810},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1281810

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