Materials Data on Ce4SiRh12 by Materials Project

doi:10.17188/1729406

Title: Materials Data on Ce4SiRh12 by Materials Project

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Abstract

Ce4Rh12Si crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Ce is bonded to twelve Rh atoms to form CeRh12 cuboctahedra that share corners with twelve equivalent CeRh12 cuboctahedra, faces with six equivalent CeRh12 cuboctahedra, and faces with two equivalent SiRh6 octahedra. There are six shorter (2.94 Å) and six longer (2.95 Å) Ce–Rh bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent Ce atoms. In the second Rh site, Rh is bonded in a 5-coordinate geometry to four equivalent Ce and one Si atom. The Rh–Si bond length is 2.32 Å. Si is bonded to six equivalent Rh atoms to form SiRh6 octahedra that share faces with eight equivalent CeRh12 cuboctahedra.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1190081

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; Ce4SiRh12; Ce-Rh-Si

OSTI Identifier:: 1729406

DOI:: https://doi.org/10.17188/1729406

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                    The Materials Project. Materials Data on Ce4SiRh12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1729406.

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                    The Materials Project. Materials Data on Ce4SiRh12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1729406

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                    The Materials Project. 2020.  
"Materials Data on Ce4SiRh12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1729406.  https://www.osti.gov/servlets/purl/1729406. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1729406,

  title        = {Materials Data on Ce4SiRh12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce4Rh12Si crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Ce is bonded to twelve Rh atoms to form CeRh12 cuboctahedra that share corners with twelve equivalent CeRh12 cuboctahedra, faces with six equivalent CeRh12 cuboctahedra, and faces with two equivalent SiRh6 octahedra. There are six shorter (2.94 Å) and six longer (2.95 Å) Ce–Rh bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent Ce atoms. In the second Rh site, Rh is bonded in a 5-coordinate geometry to four equivalent Ce and one Si atom. The Rh–Si bond length is 2.32 Å. Si is bonded to six equivalent Rh atoms to form SiRh6 octahedra that share faces with eight equivalent CeRh12 cuboctahedra.},

  doi          = {10.17188/1729406},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1729406

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