Materials Data on SmRh3 by Materials Project

doi:10.17188/1759197

Title: Materials Data on SmRh3 by Materials Project

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Abstract

SmRh3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 12-coordinate geometry to twelve Rh atoms. There are a spread of Sm–Rh bond distances ranging from 3.05–3.35 Å. In the second Sm site, Sm is bonded in a distorted hexagonal planar geometry to eighteen Rh atoms. There are six shorter (3.07 Å) and twelve longer (3.43 Å) Sm–Rh bond lengths. There are four inequivalent Rh sites. In the first Rh site, Rh is bonded to five Sm and seven Rh atoms to form a mixture of distorted corner, edge, and face-sharing RhSm5Rh7 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.65–2.72 Å. In the second Rh site, Rh is bonded in a 12-coordinate geometry to three equivalent Sm and six equivalent Rh atoms. In the third Rh site, Rh is bonded in a 12-coordinate geometry to three equivalent Sm and six equivalent Rh atoms. In the fourth Rh site, Rh is bonded to six equivalent Sm and six equivalent Rh atoms to form RhSm6Rh6 cuboctahedra that share corners with twelve equivalent RhSm5Rh7 cuboctahedra, edges with six equivalent RhSm6Rh6 cuboctahedra,more »« less

Authors:: The Materials Project

Publication Date:: 2020-09-03

Other Number(s):: mp-1191108

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; SmRh3; Rh-Sm

OSTI Identifier:: 1759197

DOI:: https://doi.org/10.17188/1759197

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                    The Materials Project. Materials Data on SmRh3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1759197.

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                    The Materials Project. Materials Data on SmRh3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1759197

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                    The Materials Project. 2020.  
"Materials Data on SmRh3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1759197.  https://www.osti.gov/servlets/purl/1759197. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1759197,

  title        = {Materials Data on SmRh3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SmRh3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 12-coordinate geometry to twelve Rh atoms. There are a spread of Sm–Rh bond distances ranging from 3.05–3.35 Å. In the second Sm site, Sm is bonded in a distorted hexagonal planar geometry to eighteen Rh atoms. There are six shorter (3.07 Å) and twelve longer (3.43 Å) Sm–Rh bond lengths. There are four inequivalent Rh sites. In the first Rh site, Rh is bonded to five Sm and seven Rh atoms to form a mixture of distorted corner, edge, and face-sharing RhSm5Rh7 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.65–2.72 Å. In the second Rh site, Rh is bonded in a 12-coordinate geometry to three equivalent Sm and six equivalent Rh atoms. In the third Rh site, Rh is bonded in a 12-coordinate geometry to three equivalent Sm and six equivalent Rh atoms. In the fourth Rh site, Rh is bonded to six equivalent Sm and six equivalent Rh atoms to form RhSm6Rh6 cuboctahedra that share corners with twelve equivalent RhSm5Rh7 cuboctahedra, edges with six equivalent RhSm6Rh6 cuboctahedra, and faces with eighteen equivalent RhSm5Rh7 cuboctahedra.},

  doi          = {10.17188/1759197},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1759197

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