Materials Data on Sr(As2Rh3)2 by Materials Project

doi:10.17188/1191523

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

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Abstract

Sr(Rh3As2)2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sr is bonded to six equivalent Rh and six equivalent As atoms to form face-sharing SrAs6Rh6 cuboctahedra. All Sr–Rh bond lengths are 3.21 Å. All Sr–As bond lengths are 3.10 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Sr and four As atoms. There are two shorter (2.49 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 one shorter (2.55 Å) and four longer (2.60 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 Sr and six Rh atoms. In the second As site, As is bonded in a 9-coordinate geometry to nine Rh atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-16045

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; Sr(As2Rh3)2; As-Rh-Sr

OSTI Identifier:: 1191523

DOI:: https://doi.org/10.17188/1191523

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                    The Materials Project. Materials Data on Sr(As2Rh3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1191523.

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                    The Materials Project. Materials Data on Sr(As2Rh3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1191523

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                    The Materials Project. 2020.  
"Materials Data on Sr(As2Rh3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1191523.  https://www.osti.gov/servlets/purl/1191523. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1191523,

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

  author       = {The Materials Project},

  abstractNote = {Sr(Rh3As2)2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sr is bonded to six equivalent Rh and six equivalent As atoms to form face-sharing SrAs6Rh6 cuboctahedra. All Sr–Rh bond lengths are 3.21 Å. All Sr–As bond lengths are 3.10 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Sr and four As atoms. There are two shorter (2.49 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 one shorter (2.55 Å) and four longer (2.60 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 Sr and six Rh atoms. In the second As site, As is bonded in a 9-coordinate geometry to nine Rh atoms.},

  doi          = {10.17188/1191523},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1191523

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