Materials Data on Ce3Si2Rh3 by Materials Project

doi:10.17188/1278175

Title: Materials Data on Ce3Si2Rh3 by Materials Project

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Abstract

Ce3Rh3Si2 is gamma CuTi-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 9-coordinate geometry to five Rh and four equivalent Si atoms. There are a spread of Ce–Rh bond distances ranging from 2.86–3.25 Å. There are two shorter (3.06 Å) and two longer (3.14 Å) Ce–Si bond lengths. In the second Ce site, Ce is bonded in a 5-coordinate geometry to six Rh and three equivalent Si atoms. There are a spread of Ce–Rh bond distances ranging from 2.96–3.30 Å. There are a spread of Ce–Si bond distances ranging from 3.06–3.14 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 12-coordinate geometry to five Ce and three equivalent Si atoms. There are a spread of Rh–Si bond distances ranging from 2.40–2.47 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to seven Ce and two equivalent Si atoms. Both Rh–Si bond lengths are 2.60 Å. Si is bonded in a 9-coordinate geometry to five Ce and four Rh atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-623044

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; Ce3Si2Rh3; Ce-Rh-Si

OSTI Identifier:: 1278175

DOI:: https://doi.org/10.17188/1278175

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                    The Materials Project. Materials Data on Ce3Si2Rh3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1278175.

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                    The Materials Project. Materials Data on Ce3Si2Rh3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1278175

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                    The Materials Project. 2020.  
"Materials Data on Ce3Si2Rh3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1278175.  https://www.osti.gov/servlets/purl/1278175. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1278175,

  title        = {Materials Data on Ce3Si2Rh3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce3Rh3Si2 is gamma CuTi-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 9-coordinate geometry to five Rh and four equivalent Si atoms. There are a spread of Ce–Rh bond distances ranging from 2.86–3.25 Å. There are two shorter (3.06 Å) and two longer (3.14 Å) Ce–Si bond lengths. In the second Ce site, Ce is bonded in a 5-coordinate geometry to six Rh and three equivalent Si atoms. There are a spread of Ce–Rh bond distances ranging from 2.96–3.30 Å. There are a spread of Ce–Si bond distances ranging from 3.06–3.14 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 12-coordinate geometry to five Ce and three equivalent Si atoms. There are a spread of Rh–Si bond distances ranging from 2.40–2.47 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to seven Ce and two equivalent Si atoms. Both Rh–Si bond lengths are 2.60 Å. Si is bonded in a 9-coordinate geometry to five Ce and four Rh atoms.},

  doi          = {10.17188/1278175},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1278175

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