Materials Data on NaH8Rh(N2O3)4 by Materials Project

doi:10.17188/1751023

Title: Materials Data on NaH8Rh(N2O3)4 by Materials Project

Dataset
Other Related Research

Abstract

Na(NO2)6Rh(NH4)2 is Heusler structured and crystallizes in the cubic Fm-3 space group. The structure is zero-dimensional and consists of eight ammonium molecules, four rhodium molecules, and four Na(NO2)6 clusters. In each Na(NO2)6 cluster, Na1+ is bonded in a cuboctahedral geometry to twelve equivalent O2- atoms. All Na–O bond lengths are 2.92 Å. N+1.50+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.25 Å. O2- is bonded in a single-bond geometry to one Na1+ and one N+1.50+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1193688

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; NaH8Rh(N2O3)4; H-N-Na-O-Rh

OSTI Identifier:: 1751023

DOI:: https://doi.org/10.17188/1751023

Citation Formats


                    The Materials Project. Materials Data on NaH8Rh(N2O3)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751023.

Copy to clipboard


                    The Materials Project. Materials Data on NaH8Rh(N2O3)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1751023

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on NaH8Rh(N2O3)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1751023.  https://www.osti.gov/servlets/purl/1751023. Pub date:Sat May 02 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1751023,

  title        = {Materials Data on NaH8Rh(N2O3)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na(NO2)6Rh(NH4)2 is Heusler structured and crystallizes in the cubic Fm-3 space group. The structure is zero-dimensional and consists of eight ammonium molecules, four rhodium molecules, and four Na(NO2)6 clusters. In each Na(NO2)6 cluster, Na1+ is bonded in a cuboctahedral geometry to twelve equivalent O2- atoms. All Na–O bond lengths are 2.92 Å. N+1.50+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.25 Å. O2- is bonded in a single-bond geometry to one Na1+ and one N+1.50+ atom.},

  doi          = {10.17188/1751023},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1751023

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on MgP2H20C4(N2O3)4 by Materials Project

Dataset The Materials Project

MgC4P2H20(N2O3)4 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two MgC4P2H20(N2O3)4 ribbons oriented in the (1, 0, 0) direction. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of Mg–O bond distances ranging from 2.10–2.18 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to two N3- and one O2- atom. There is one shorter (1.34 Å) and one longer (1.35 Å) C–N bond length. The C–O bond lengthmore »« less
Materials Data on CaP2H20C4(N2O3)4 by Materials Project

Dataset The Materials Project

CaC4P2H20(N2O3)4 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two CaC4P2H20(N2O3)4 ribbons oriented in the (1, 0, 0) direction. Ca2+ is bonded to six O2- atoms to form CaO6 octahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of Ca–O bond distances ranging from 2.33–2.38 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to two N3- and one O2- atom. There is one shorter (1.34 Å) and one longer (1.35 Å) C–N bond length. The C–O bond lengthmore »« less
Materials Data on LiCoH24C8(N2O3)4 (SG:164) by Materials Project

Dataset The Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on NaCo(N2O3)4 by Materials Project

Dataset The Materials Project

Na(Na(NO3)4)3(Co)4(N2)5(N5O6)2 crystallizes in the cubic P23 space group. The structure is zero-dimensional and consists of ten ammonia molecules, four cobalt molecules, one sodium molecule, one N5O6 cluster, and three Na(NO3)4 clusters. In the N5O6 cluster, there are two inequivalent N+2.50+ sites. In the first N+2.50+ site, N+2.50+ is bonded in a 2-coordinate geometry to two equivalent O2- atoms. Both N–O bond lengths are 2.11 Å. In the second N+2.50+ site, N+2.50+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All N–O bond lengths are 1.27 Å. O2- is bonded in a distorted single-bond geometry to twomore »« less
Materials Data on NaIr(N2O3)4 by Materials Project

Dataset The Materials Project

IrNa(NO2)6N2 is Heusler structured and crystallizes in the cubic Fm-3 space group. The structure is zero-dimensional and consists of eight ammonia molecules, four iridium molecules, and four Na(NO2)6 clusters. In each Na(NO2)6 cluster, Na1+ is bonded in a cuboctahedral geometry to twelve equivalent O2- atoms. All Na–O bond lengths are 2.80 Å. N+2.50+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.24 Å. O2- is bonded in a distorted single-bond geometry to one Na1+ and one N+2.50+ atom.

Similar Records