Materials Data on Mg(As2Rh3)2 by Materials Project

doi:10.17188/1191521

Title: Materials Data on Mg(As2Rh3)2 by Materials Project

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Abstract

Mg(Rh3As2)2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mg is bonded to six equivalent Rh and six equivalent As atoms to form face-sharing MgAs6Rh6 cuboctahedra. All Mg–Rh bond lengths are 3.06 Å. All Mg–As bond lengths are 3.02 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Mg and four As atoms. There are two shorter (2.43 Å) and two longer (2.56 Å) Rh–As bond lengths. In the second Rh site, Rh is bonded in a 5-coordinate geometry to five As atoms. There are four shorter (2.55 Å) and one longer (2.57 Å) Rh–As bond lengths. There are two inequivalent As sites. In the first As site, As is bonded in a 8-coordinate geometry to two equivalent Mg and six Rh atoms. In the second As site, As is bonded in a 9-coordinate geometry to nine Rh atoms.

Publication Date:: 2020-07-16

Other Number(s):: mp-16043

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; As-Mg-Rh; Mg(As2Rh3)2; crystal structure

OSTI Identifier:: 1191521

DOI:: https://doi.org/10.17188/1191521

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                    Materials Data on Mg(As2Rh3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1191521.

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                    Materials Data on Mg(As2Rh3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1191521

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                    2020.  
"Materials Data on Mg(As2Rh3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1191521.  https://www.osti.gov/servlets/purl/1191521. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1191521,

  title        = {Materials Data on Mg(As2Rh3)2 by Materials Project},

  
  abstractNote = {Mg(Rh3As2)2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mg is bonded to six equivalent Rh and six equivalent As atoms to form face-sharing MgAs6Rh6 cuboctahedra. All Mg–Rh bond lengths are 3.06 Å. All Mg–As bond lengths are 3.02 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Mg and four As atoms. There are two shorter (2.43 Å) and two longer (2.56 Å) Rh–As bond lengths. In the second Rh site, Rh is bonded in a 5-coordinate geometry to five As atoms. There are four shorter (2.55 Å) and one longer (2.57 Å) Rh–As bond lengths. There are two inequivalent As sites. In the first As site, As is bonded in a 8-coordinate geometry to two equivalent Mg and six Rh atoms. In the second As site, As is bonded in a 9-coordinate geometry to nine Rh atoms.},

  doi          = {10.17188/1191521},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1191521

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