Materials Data on Zn3Rh2(CN)12 by Materials Project

doi:10.17188/1757856

Title: Materials Data on Zn3Rh2(CN)12 by Materials Project

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Abstract

(Rh)2Zn(Zn(CN)6)2 crystallizes in the tetragonal P-4m2 space group. The structure is zero-dimensional and consists of two rhodium molecules, two Zn(CN)6 clusters, and one zinc molecule. In each Zn(CN)6 cluster, Zn2+ is bonded in an octahedral geometry to six N3- atoms. There are a spread of Zn–N bond distances ranging from 2.11–2.17 Å. There are three inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the third C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to one Zn2+ and one C2+ atom. In the second N3- site, N3- is bonded in a linear geometry to one Zn2+ and one C2+ atom. In the third N3- site, N3- is bonded in a linear geometry to one Zn2+ and one C2+ atom.

Authors:: The Materials Project

Publication Date:: 2020-09-03

Other Number(s):: mp-1216037

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; Zn3Rh2(CN)12; C-N-Rh-Zn

OSTI Identifier:: 1757856

DOI:: https://doi.org/10.17188/1757856

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                    The Materials Project. Materials Data on Zn3Rh2(CN)12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1757856.

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                    The Materials Project. Materials Data on Zn3Rh2(CN)12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1757856

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                    The Materials Project. 2020.  
"Materials Data on Zn3Rh2(CN)12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1757856.  https://www.osti.gov/servlets/purl/1757856. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1757856,

  title        = {Materials Data on Zn3Rh2(CN)12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(Rh)2Zn(Zn(CN)6)2 crystallizes in the tetragonal P-4m2 space group. The structure is zero-dimensional and consists of two rhodium molecules, two Zn(CN)6 clusters, and one zinc molecule. In each Zn(CN)6 cluster, Zn2+ is bonded in an octahedral geometry to six N3- atoms. There are a spread of Zn–N bond distances ranging from 2.11–2.17 Å. There are three inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the third C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to one Zn2+ and one C2+ atom. In the second N3- site, N3- is bonded in a linear geometry to one Zn2+ and one C2+ atom. In the third N3- site, N3- is bonded in a linear geometry to one Zn2+ and one C2+ atom.},

  doi          = {10.17188/1757856},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1757856

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