Materials Data on MoRh3 by Materials Project

doi:10.17188/1727091

Title: Materials Data on MoRh3 by Materials Project

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Abstract

MoRh3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mo is bonded to six equivalent Mo and six equivalent Rh atoms to form MoMo6Rh6 cuboctahedra that share corners with six equivalent MoMo6Rh6 cuboctahedra, corners with twelve equivalent RhRh12 cuboctahedra, edges with six equivalent MoMo6Rh6 cuboctahedra, edges with twelve equivalent RhMo3Rh9 cuboctahedra, faces with six equivalent MoMo6Rh6 cuboctahedra, and faces with fourteen RhRh12 cuboctahedra. All Mo–Mo bond lengths are 2.77 Å. All Mo–Rh bond lengths are 2.69 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to twelve Rh atoms to form RhRh12 cuboctahedra that share corners with six equivalent RhRh12 cuboctahedra, corners with twelve equivalent MoMo6Rh6 cuboctahedra, edges with eighteen RhRh12 cuboctahedra, faces with two equivalent MoMo6Rh6 cuboctahedra, and faces with eighteen RhRh12 cuboctahedra. There are six shorter (2.76 Å) and six longer (2.77 Å) Rh–Rh bond lengths. In the second Rh site, Rh is bonded to three equivalent Mo and nine Rh atoms to form RhMo3Rh9 cuboctahedra that share corners with eighteen equivalent RhMo3Rh9 cuboctahedra, edges with six equivalent MoMo6Rh6 cuboctahedra, edges with twelve RhRh12 cuboctahedra, faces with six equivalent MoMo6Rh6 cuboctahedra, and faces with fourteen RhRh12 cuboctahedra. All Rh–Rhmore » bond lengths are 2.77 Å.« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1221397

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; MoRh3; Mo-Rh

OSTI Identifier:: 1727091

DOI:: https://doi.org/10.17188/1727091

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                    The Materials Project. Materials Data on MoRh3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1727091.

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                    The Materials Project. Materials Data on MoRh3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1727091

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                    The Materials Project. 2020.  
"Materials Data on MoRh3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1727091.  https://www.osti.gov/servlets/purl/1727091. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1727091,

  title        = {Materials Data on MoRh3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MoRh3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mo is bonded to six equivalent Mo and six equivalent Rh atoms to form MoMo6Rh6 cuboctahedra that share corners with six equivalent MoMo6Rh6 cuboctahedra, corners with twelve equivalent RhRh12 cuboctahedra, edges with six equivalent MoMo6Rh6 cuboctahedra, edges with twelve equivalent RhMo3Rh9 cuboctahedra, faces with six equivalent MoMo6Rh6 cuboctahedra, and faces with fourteen RhRh12 cuboctahedra. All Mo–Mo bond lengths are 2.77 Å. All Mo–Rh bond lengths are 2.69 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to twelve Rh atoms to form RhRh12 cuboctahedra that share corners with six equivalent RhRh12 cuboctahedra, corners with twelve equivalent MoMo6Rh6 cuboctahedra, edges with eighteen RhRh12 cuboctahedra, faces with two equivalent MoMo6Rh6 cuboctahedra, and faces with eighteen RhRh12 cuboctahedra. There are six shorter (2.76 Å) and six longer (2.77 Å) Rh–Rh bond lengths. In the second Rh site, Rh is bonded to three equivalent Mo and nine Rh atoms to form RhMo3Rh9 cuboctahedra that share corners with eighteen equivalent RhMo3Rh9 cuboctahedra, edges with six equivalent MoMo6Rh6 cuboctahedra, edges with twelve RhRh12 cuboctahedra, faces with six equivalent MoMo6Rh6 cuboctahedra, and faces with fourteen RhRh12 cuboctahedra. All Rh–Rh bond lengths are 2.77 Å.},

  doi          = {10.17188/1727091},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1727091

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