Materials Data on Rb3Ir(NO2)6 by Materials Project

doi:10.17188/1196746

Title: Materials Data on Rb3Ir(NO2)6 by Materials Project

Dataset
Other Related Research

Abstract

Rb(RbO6)2Ir(N2)3 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of twenty-four ammonia molecules, four iridium molecules, four rubidium molecules, and one RbO6 framework. In the RbO6 framework, Rb1+ is bonded in a distorted q4 geometry to twelve equivalent O2- atoms. All Rb–O bond lengths are 2.90 Å. O2- is bonded in a 3-coordinate geometry to two equivalent Rb1+ and one O2- atom. The O–O bond length is 1.29 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-21327

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; Rb3Ir(NO2)6; Ir-N-O-Rb

OSTI Identifier:: 1196746

DOI:: https://doi.org/10.17188/1196746

Citation Formats


                    The Materials Project. Materials Data on Rb3Ir(NO2)6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1196746.

Copy to clipboard


                    The Materials Project. Materials Data on Rb3Ir(NO2)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1196746

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Rb3Ir(NO2)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1196746.  https://www.osti.gov/servlets/purl/1196746. Pub date:Sat Jul 18 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1196746,

  title        = {Materials Data on Rb3Ir(NO2)6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb(RbO6)2Ir(N2)3 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of twenty-four ammonia molecules, four iridium molecules, four rubidium molecules, and one RbO6 framework. In the RbO6 framework, Rb1+ is bonded in a distorted q4 geometry to twelve equivalent O2- atoms. All Rb–O bond lengths are 2.90 Å. O2- is bonded in a 3-coordinate geometry to two equivalent Rb1+ and one O2- atom. The O–O bond length is 1.29 Å.},

  doi          = {10.17188/1196746},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1196746

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on K2CuPb(NO2)6 by Materials Project

Dataset The Materials Project

K2PbCu(NO2)6 crystallizes in the cubic Fm-3 space group. The structure is three-dimensional and consists of four copper molecules and one K2Pb(NO2)6 framework. In the K2Pb(NO2)6 framework, K1+ is bonded to twelve equivalent O2- atoms to form KO12 cuboctahedra that share edges with six equivalent KO12 cuboctahedra and faces with four equivalent PbO12 cuboctahedra. All K–O bond lengths are 3.17 Å. Pb2+ is bonded to twelve equivalent O2- atoms to form PbO12 cuboctahedra that share faces with eight equivalent KO12 cuboctahedra. All Pb–O bond lengths are 2.83 Å. N3+ is bonded in a bent 120 degrees geometry to two equivalent O2-more »« less
Materials Data on Tl3Ir(NO2)6 by Materials Project

Dataset The Materials Project

IrTl(Tl(NO2)3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four iridium molecules, four thallium molecules, and one Tl(NO2)3 framework. In the Tl(NO2)3 framework, Tl+1.67+ is bonded in a distorted q4 geometry to twelve equivalent O2- atoms. All Tl–O bond lengths are 2.77 Å. N+2.33+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All N–O bond lengths are 2.24 Å. O2- is bonded in a 5-coordinate geometry to two equivalent Tl+1.67+, two equivalent N+2.33+, and one O2- atom. The O–O bond length is 1.31 Å.
Materials Data on K3Ir(NO2)6 by Materials Project

Dataset The Materials Project

KIr(K(NO2)3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four iridium molecules, four potassium molecules, and one K(NO2)3 framework. In the K(NO2)3 framework, K1+ is bonded in a distorted q4 geometry to twelve equivalent O2- atoms. All K–O bond lengths are 2.69 Å. N3+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. All N–O bond lengths are 2.14 Å. O2- is bonded in a 5-coordinate geometry to two equivalent K1+, two equivalent N3+, and one O2- atom. The O–O bond length is 1.32 Å.
Materials Data on Cs2CuPb(NO2)6 by Materials Project

Dataset The Materials Project

Cs2PbCu(NO2)6 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional and consists of four copper molecules and one Cs2Pb(NO2)6 framework. In the Cs2Pb(NO2)6 framework, Cs1+ is bonded to twelve O2- atoms to form CsO12 cuboctahedra that share edges with six equivalent CsO12 cuboctahedra and faces with four equivalent PbO12 cuboctahedra. There are a spread of Cs–O bond distances ranging from 3.24–3.29 Å. Pb2+ is bonded to twelve O2- atoms to form PbO12 cuboctahedra that share faces with eight equivalent CsO12 cuboctahedra. There are eight shorter (2.88 Å) and four longer (2.91 Å) Pb–O bond lengths. There are threemore »« less
Materials Data on Na3Co(NO2)6 by Materials Project

Dataset The Materials Project

Na3Co(NO2)6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional and consists of three cobalt molecules and one Na(NO2)2 framework. In the Na(NO2)2 framework, there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to twelve O2- atoms to form a mixture of corner and face-sharing NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 48°. There are six shorter (2.71 Å) and six longer (2.92 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form a mixture of corner and face-sharing NaO6 octahedra. There are threemore »« less

Similar Records