Materials Data on IrRu2(NCl)10 by Materials Project

doi:10.17188/1662554

Title: Materials Data on IrRu2(NCl)10 by Materials Project

Dataset
Other Related Research

Abstract

IrCl6(RuN3Cl2)2(N2)2 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four nitrogen molecules, two IrCl6 clusters, and four RuN3Cl2 clusters. In each IrCl6 cluster, Ir5+ is bonded in an octahedral geometry to six Cl1- atoms. There are four shorter (2.29 Å) and two longer (2.33 Å) Ir–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ir5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ir5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Ir5+ atom. In each RuN3Cl2 cluster, Ru+5.50+ is bonded in a tetrahedral geometry to three N+0.60- and one Cl1- atom. There is two shorter (1.70 Å) and one longer (1.90 Å) Ru–N bond length. The Ru–Cl bond length is 2.26 Å. There are two inequivalent N+0.60- sites. In the first N+0.60- site, N+0.60- is bonded in a single-bond geometry to one Ru+5.50+ atom. In the second N+0.60- site, N+0.60- is bonded in a distorted bent 150 degrees geometry to one Ru+5.50+ and one Cl1- atom. The N–Cl bond length is 1.60 Å. There aremore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1212592

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; IrRu2(NCl)10; Cl-Ir-N-Ru

OSTI Identifier:: 1662554

DOI:: https://doi.org/10.17188/1662554

Citation Formats


                    The Materials Project. Materials Data on IrRu2(NCl)10 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1662554.

Copy to clipboard


                    The Materials Project. Materials Data on IrRu2(NCl)10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1662554

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on IrRu2(NCl)10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1662554.  https://www.osti.gov/servlets/purl/1662554. Pub date:Wed Apr 29 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1662554,

  title        = {Materials Data on IrRu2(NCl)10 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {IrCl6(RuN3Cl2)2(N2)2 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four nitrogen molecules, two IrCl6 clusters, and four RuN3Cl2 clusters. In each IrCl6 cluster, Ir5+ is bonded in an octahedral geometry to six Cl1- atoms. There are four shorter (2.29 Å) and two longer (2.33 Å) Ir–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ir5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ir5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Ir5+ atom. In each RuN3Cl2 cluster, Ru+5.50+ is bonded in a tetrahedral geometry to three N+0.60- and one Cl1- atom. There is two shorter (1.70 Å) and one longer (1.90 Å) Ru–N bond length. The Ru–Cl bond length is 2.26 Å. There are two inequivalent N+0.60- sites. In the first N+0.60- site, N+0.60- is bonded in a single-bond geometry to one Ru+5.50+ atom. In the second N+0.60- site, N+0.60- is bonded in a distorted bent 150 degrees geometry to one Ru+5.50+ and one Cl1- atom. The N–Cl bond length is 1.60 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ru+5.50+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one N+0.60- atom.},

  doi          = {10.17188/1662554},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1662554

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on PtRh2(NCl)10 by Materials Project

Dataset The Materials Project

(RhCl)2Pt(N2Cl3)2(N2)2(NCl)2 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of eight ammonia molecules, four chloramine molecules, two Pt(N2Cl3)2 clusters, and four RhCl clusters. In each Pt(N2Cl3)2 cluster, Pt2+ is bonded in an octahedral geometry to six Cl1- atoms. There are four shorter (2.34 Å) and two longer (2.35 Å) Pt–Cl bond lengths. N+0.20+ is bonded in a distorted water-like geometry to one Cl1- atom. The N–Cl bond length is 2.41 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt2+ atom. In themore »« less
Materials Data on ReH30Ru2(NCl)10 by Materials Project

Dataset The Materials Project

ReCl6(RuN5H15Cl)2Cl2 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two hexachlororhenium molecules, four hydrochloric acid molecules, and four RuN5H15Cl clusters. In each RuN5H15Cl cluster, Ru+3.50+ is bonded in an octahedral geometry to five N3- and one Cl1- atom. There are a spread of Ru–N bond distances ranging from 2.12–2.14 Å. The Ru–Cl bond length is 2.33 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to one Ru+3.50+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. In the secondmore »« less
Materials Data on Co2Ir(NCl)10 by Materials Project

Dataset The Materials Project

IrCl6(CoN3Cl)2(N2)2Cl2 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two chlorine molecules, four nitrogen molecules, four CoN3Cl clusters, and two IrCl6 clusters. In each CoN3Cl cluster, Co2+ is bonded in a distorted trigonal non-coplanar geometry to three N+0.20+ atoms. There is one shorter (1.60 Å) and two longer (1.78 Å) Co–N bond length. There are two inequivalent N+0.20+ sites. In the first N+0.20+ site, N+0.20+ is bonded in a distorted water-like geometry to one Co2+ and one Cl1- atom. The N–Cl bond length is 1.74 Å. In the second N+0.20+ site, N+0.20+ is bondedmore »« less
Materials Data on Ir2Os(NCl)10 by Materials Project

Dataset The Materials Project

OsCl6(IrN5Cl2)2 is beta Sn-derived structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two hexachloroosmium molecules and four IrN5Cl2 clusters. In each IrN5Cl2 cluster, Ir4+ is bonded in a 3-coordinate geometry to five N+0.60- and one Cl1- atom. There are a spread of Ir–N bond distances ranging from 1.76–2.37 Å. The Ir–Cl bond length is 2.48 Å. There are three inequivalent N+0.60- sites. In the first N+0.60- site, N+0.60- is bonded in a single-bond geometry to one Ir4+ atom. In the second N+0.60- site, N+0.60- is bonded in a single-bond geometry to onemore »« less
Materials Data on H30Ru2Pt(NCl)10 by Materials Project

Dataset The Materials Project

PtCl6(RuN5H15Cl)2Cl2 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four hydrochloric acid molecules, two PtCl6 clusters, and four RuN5H15Cl clusters. In each PtCl6 cluster, Pt2+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Pt–Cl bond distances ranging from 2.34–2.36 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt2+ atom. In each RuN5H15Cl cluster, Ru4+ is bonded in anmore »« less

Similar Records