Materials Data on H18RhC4N7O8 by Materials Project

doi:10.17188/1711489

Title: Materials Data on H18RhC4N7O8 by Materials Project

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Abstract

RhH6(N3O4)2N(CH3)4 is Copper structured and crystallizes in the monoclinic P2/c space group. The structure is zero-dimensional and consists of two tetramethylammonium molecules and two RhH6(N3O4)2 clusters. In each RhH6(N3O4)2 cluster, Rh3+ is bonded in an octahedral geometry to six N3- atoms. There are four shorter (2.08 Å) and two longer (2.09 Å) Rh–N bond lengths. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one Rh3+ and two O2- atoms. Both N–O bond lengths are 1.25 Å. In the second N3- site, N3- is bonded in a trigonal planar geometry to one Rh3+ and two O2- atoms. Both N–O bond lengths are 1.25 Å. In the third N3- site, N3- is bonded in a trigonal non-coplanar geometry to one Rh3+ and three H1+ atoms. There is two shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry tomore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-01

Other Number(s):: mp-1194707

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; H18RhC4N7O8; C-H-N-O-Rh

OSTI Identifier:: 1711489

DOI:: https://doi.org/10.17188/1711489

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                    The Materials Project. Materials Data on H18RhC4N7O8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711489.

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                    The Materials Project. Materials Data on H18RhC4N7O8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1711489

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                    The Materials Project. 2020.  
"Materials Data on H18RhC4N7O8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1711489.  https://www.osti.gov/servlets/purl/1711489. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1711489,

  title        = {Materials Data on H18RhC4N7O8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RhH6(N3O4)2N(CH3)4 is Copper structured and crystallizes in the monoclinic P2/c space group. The structure is zero-dimensional and consists of two tetramethylammonium molecules and two RhH6(N3O4)2 clusters. In each RhH6(N3O4)2 cluster, Rh3+ is bonded in an octahedral geometry to six N3- atoms. There are four shorter (2.08 Å) and two longer (2.09 Å) Rh–N bond lengths. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one Rh3+ and two O2- atoms. Both N–O bond lengths are 1.25 Å. In the second N3- site, N3- is bonded in a trigonal planar geometry to one Rh3+ and two O2- atoms. Both N–O bond lengths are 1.25 Å. In the third N3- site, N3- is bonded in a trigonal non-coplanar geometry to one Rh3+ and three H1+ atoms. There is two shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N3- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N3- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N3- atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one N3- atom.},

  doi          = {10.17188/1711489},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1711489

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