Materials Data on Zn13Rh by Materials Project

doi:10.17188/1189590

Title: Materials Data on Zn13Rh by Materials Project

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Abstract

RhZn13 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rh is bonded to twelve Zn atoms to form corner-sharing RhZn12 cuboctahedra. There are a spread of Rh–Zn bond distances ranging from 2.58–2.69 Å. There are five inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted linear geometry to two equivalent Rh and two equivalent Zn atoms. Both Zn–Zn bond lengths are 2.79 Å. In the second Zn site, Zn is bonded in a 1-coordinate geometry to one Rh and four Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.60–2.84 Å. In the third Zn site, Zn is bonded in a 1-coordinate geometry to one Rh and four Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.65–2.85 Å. In the fourth Zn site, Zn is bonded in a 1-coordinate geometry to one Rh and ten Zn atoms. The Zn–Zn bond length is 2.59 Å. In the fifth Zn site, Zn is bonded in a 10-coordinate geometry to ten Zn atoms. The Zn–Zn bond length is 2.72 Å.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-13447

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; Zn13Rh; Rh-Zn

OSTI Identifier:: 1189590

DOI:: https://doi.org/10.17188/1189590

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                    The Materials Project. Materials Data on Zn13Rh by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189590.

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                    The Materials Project. Materials Data on Zn13Rh by Materials Project.  United States.  doi:https://doi.org/10.17188/1189590

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                    The Materials Project. 2020.  
"Materials Data on Zn13Rh by Materials Project".  United States.  doi:https://doi.org/10.17188/1189590.  https://www.osti.gov/servlets/purl/1189590. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1189590,

  title        = {Materials Data on Zn13Rh by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RhZn13 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rh is bonded to twelve Zn atoms to form corner-sharing RhZn12 cuboctahedra. There are a spread of Rh–Zn bond distances ranging from 2.58–2.69 Å. There are five inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted linear geometry to two equivalent Rh and two equivalent Zn atoms. Both Zn–Zn bond lengths are 2.79 Å. In the second Zn site, Zn is bonded in a 1-coordinate geometry to one Rh and four Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.60–2.84 Å. In the third Zn site, Zn is bonded in a 1-coordinate geometry to one Rh and four Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.65–2.85 Å. In the fourth Zn site, Zn is bonded in a 1-coordinate geometry to one Rh and ten Zn atoms. The Zn–Zn bond length is 2.59 Å. In the fifth Zn site, Zn is bonded in a 10-coordinate geometry to ten Zn atoms. The Zn–Zn bond length is 2.72 Å.},

  doi          = {10.17188/1189590},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1189590

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