Materials Data on CeSiRh2 by Materials Project

doi:10.17188/1205404

Title: Materials Data on CeSiRh2 by Materials Project

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Abstract

CeRh2Si crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 4-coordinate geometry to ten Rh and four equivalent Si atoms. There are a spread of Ce–Rh bond distances ranging from 2.98–3.42 Å. All Ce–Si bond lengths are 3.19 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to six equivalent Ce, two equivalent Rh, and one Si atom. Both Rh–Rh bond lengths are 2.72 Å. The Rh–Si bond length is 2.37 Å. In the second Rh site, Rh is bonded to four equivalent Ce and four equivalent Si atoms to form a mixture of distorted edge and face-sharing RhCe4Si4 tetrahedra. There are two shorter (2.38 Å) and two longer (2.40 Å) Rh–Si bond lengths. Si is bonded in a 9-coordinate geometry to four equivalent Ce and five Rh atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-31078

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; CeSiRh2; Ce-Rh-Si

OSTI Identifier:: 1205404

DOI:: https://doi.org/10.17188/1205404

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                    The Materials Project. Materials Data on CeSiRh2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205404.

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                    The Materials Project. Materials Data on CeSiRh2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205404

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                    The Materials Project. 2020.  
"Materials Data on CeSiRh2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205404.  https://www.osti.gov/servlets/purl/1205404. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1205404,

  title        = {Materials Data on CeSiRh2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CeRh2Si crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 4-coordinate geometry to ten Rh and four equivalent Si atoms. There are a spread of Ce–Rh bond distances ranging from 2.98–3.42 Å. All Ce–Si bond lengths are 3.19 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to six equivalent Ce, two equivalent Rh, and one Si atom. Both Rh–Rh bond lengths are 2.72 Å. The Rh–Si bond length is 2.37 Å. In the second Rh site, Rh is bonded to four equivalent Ce and four equivalent Si atoms to form a mixture of distorted edge and face-sharing RhCe4Si4 tetrahedra. There are two shorter (2.38 Å) and two longer (2.40 Å) Rh–Si bond lengths. Si is bonded in a 9-coordinate geometry to four equivalent Ce and five Rh atoms.},

  doi          = {10.17188/1205404},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1205404

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