Materials Data on Sm5Rh4 by Materials Project

doi:10.17188/1652004

Title: Materials Data on Sm5Rh4 by Materials Project

Dataset

Abstract

Sm5Rh4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 6-coordinate geometry to six Rh atoms. There are a spread of Sm–Rh bond distances ranging from 2.87–3.05 Å. In the second Sm site, Sm is bonded in a 7-coordinate geometry to seven Rh atoms. There are a spread of Sm–Rh bond distances ranging from 2.94–3.37 Å. In the third Sm site, Sm is bonded to six Rh atoms to form distorted corner-sharing SmRh6 octahedra. The corner-sharing octahedra tilt angles range from 51–53°. There are a spread of Sm–Rh bond distances ranging from 2.80–3.28 Å. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to eight Sm and one Rh atom. The Rh–Rh bond length is 2.72 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to eight Sm atoms. In the third Rh site, Rh is bonded in a 9-coordinate geometry to eight Sm and one Rh atom.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1196525

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; Sm5Rh4; Rh-Sm

OSTI Identifier:: 1652004

DOI:: https://doi.org/10.17188/1652004

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                    The Materials Project. Materials Data on Sm5Rh4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1652004.

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                    The Materials Project. Materials Data on Sm5Rh4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1652004

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                    The Materials Project. 2020.  
"Materials Data on Sm5Rh4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1652004.  https://www.osti.gov/servlets/purl/1652004. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1652004,

  title        = {Materials Data on Sm5Rh4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sm5Rh4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 6-coordinate geometry to six Rh atoms. There are a spread of Sm–Rh bond distances ranging from 2.87–3.05 Å. In the second Sm site, Sm is bonded in a 7-coordinate geometry to seven Rh atoms. There are a spread of Sm–Rh bond distances ranging from 2.94–3.37 Å. In the third Sm site, Sm is bonded to six Rh atoms to form distorted corner-sharing SmRh6 octahedra. The corner-sharing octahedra tilt angles range from 51–53°. There are a spread of Sm–Rh bond distances ranging from 2.80–3.28 Å. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to eight Sm and one Rh atom. The Rh–Rh bond length is 2.72 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to eight Sm atoms. In the third Rh site, Rh is bonded in a 9-coordinate geometry to eight Sm and one Rh atom.},

  doi          = {10.17188/1652004},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1652004

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