Materials Data on Ce3YRh4 by Materials Project

doi:10.17188/1672170

Title: Materials Data on Ce3YRh4 by Materials Project

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Abstract

Ce3YRh4 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 5-coordinate geometry to seven Rh atoms. There are a spread of Ce–Rh bond distances ranging from 2.86–3.16 Å. In the second Ce site, Ce is bonded in a 5-coordinate geometry to seven Rh atoms. There are a spread of Ce–Rh bond distances ranging from 2.88–3.25 Å. In the third Ce site, Ce is bonded in a 7-coordinate geometry to seven Rh atoms. There are a spread of Ce–Rh bond distances ranging from 2.85–3.10 Å. Y is bonded in a 5-coordinate geometry to seven Rh atoms. There are a spread of Y–Rh bond distances ranging from 2.88–3.21 Å. There are four inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to six Ce, one Y, and two equivalent Rh atoms. Both Rh–Rh bond lengths are 2.95 Å. In the second Rh site, Rh is bonded in a 5-coordinate geometry to five Ce and two equivalent Y atoms. In the third Rh site, Rh is bonded in a 7-coordinate geometry to three Ce and four equivalent Y atoms.more »« less

Authors:: The Materials Project

Publication Date:: 2019-01-13

Other Number(s):: mp-1226855

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; Ce3YRh4; Ce-Rh-Y

OSTI Identifier:: 1672170

DOI:: https://doi.org/10.17188/1672170

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                    The Materials Project. Materials Data on Ce3YRh4 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1672170.

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                    The Materials Project. Materials Data on Ce3YRh4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1672170

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                    The Materials Project. 2019.  
"Materials Data on Ce3YRh4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1672170.  https://www.osti.gov/servlets/purl/1672170. Pub date:Sun Jan 13 00:00:00 EST 2019

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@article{osti_1672170,

  title        = {Materials Data on Ce3YRh4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce3YRh4 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 5-coordinate geometry to seven Rh atoms. There are a spread of Ce–Rh bond distances ranging from 2.86–3.16 Å. In the second Ce site, Ce is bonded in a 5-coordinate geometry to seven Rh atoms. There are a spread of Ce–Rh bond distances ranging from 2.88–3.25 Å. In the third Ce site, Ce is bonded in a 7-coordinate geometry to seven Rh atoms. There are a spread of Ce–Rh bond distances ranging from 2.85–3.10 Å. Y is bonded in a 5-coordinate geometry to seven Rh atoms. There are a spread of Y–Rh bond distances ranging from 2.88–3.21 Å. There are four inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to six Ce, one Y, and two equivalent Rh atoms. Both Rh–Rh bond lengths are 2.95 Å. In the second Rh site, Rh is bonded in a 5-coordinate geometry to five Ce and two equivalent Y atoms. In the third Rh site, Rh is bonded in a 7-coordinate geometry to three Ce and four equivalent Y atoms. In the fourth Rh site, Rh is bonded in a 5-coordinate geometry to seven Ce and two equivalent Rh atoms.},

  doi          = {10.17188/1672170},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1672170

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