Materials Data on Ce5(Sn5Rh2)2 by Materials Project

doi:10.17188/1679281

Title: Materials Data on Ce5(Sn5Rh2)2 by Materials Project

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Abstract

Ce5Rh4Sn10 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 8-coordinate geometry to four equivalent Rh and twelve Sn atoms. All Ce–Rh bond lengths are 3.51 Å. There are eight shorter (3.24 Å) and four longer (3.56 Å) Ce–Sn bond lengths. In the second Ce site, Ce is bonded to four equivalent Rh and eight Sn atoms to form face-sharing CeSn8Rh4 cuboctahedra. All Ce–Rh bond lengths are 3.29 Å. There are two shorter (3.16 Å) and six longer (3.34 Å) Ce–Sn bond lengths. In the third Ce site, Ce is bonded in a 8-coordinate geometry to four equivalent Rh and ten Sn atoms. All Ce–Rh bond lengths are 3.65 Å. There are a spread of Ce–Sn bond distances ranging from 3.48–3.60 Å. Rh is bonded in a 10-coordinate geometry to five Ce and five Sn atoms. There are a spread of Rh–Sn bond distances ranging from 2.63–2.74 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to six Ce, two equivalent Rh, and one Sn atom. The Sn–Sn bond length is 2.74more »« less

Authors:: The Materials Project

Publication Date:: Fri Jun 05 00:00:00 EDT 2020

Other Number(s):: mp-1199090

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; Ce5(Sn5Rh2)2; Ce-Rh-Sn

OSTI Identifier:: 1679281

DOI:: https://doi.org/10.17188/1679281

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                    The Materials Project. Materials Data on Ce5(Sn5Rh2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1679281.

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                    The Materials Project. Materials Data on Ce5(Sn5Rh2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1679281

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                    The Materials Project. 2020.  
"Materials Data on Ce5(Sn5Rh2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1679281.  https://www.osti.gov/servlets/purl/1679281. Pub date:Fri Jun 05 00:00:00 EDT 2020

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@article{osti_1679281,

  title        = {Materials Data on Ce5(Sn5Rh2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce5Rh4Sn10 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 8-coordinate geometry to four equivalent Rh and twelve Sn atoms. All Ce–Rh bond lengths are 3.51 Å. There are eight shorter (3.24 Å) and four longer (3.56 Å) Ce–Sn bond lengths. In the second Ce site, Ce is bonded to four equivalent Rh and eight Sn atoms to form face-sharing CeSn8Rh4 cuboctahedra. All Ce–Rh bond lengths are 3.29 Å. There are two shorter (3.16 Å) and six longer (3.34 Å) Ce–Sn bond lengths. In the third Ce site, Ce is bonded in a 8-coordinate geometry to four equivalent Rh and ten Sn atoms. All Ce–Rh bond lengths are 3.65 Å. There are a spread of Ce–Sn bond distances ranging from 3.48–3.60 Å. Rh is bonded in a 10-coordinate geometry to five Ce and five Sn atoms. There are a spread of Rh–Sn bond distances ranging from 2.63–2.74 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to six Ce, two equivalent Rh, and one Sn atom. The Sn–Sn bond length is 2.74 Å. In the second Sn site, Sn is bonded in a 2-coordinate geometry to five Ce and two equivalent Rh atoms. In the third Sn site, Sn is bonded in a 2-coordinate geometry to four Ce and two equivalent Rh atoms.},

  doi          = {10.17188/1679281},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jun 05 00:00:00 EDT 2020},

  month        = {Fri Jun 05 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1679281

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