Materials Data on OsPt(N2Cl3)2 by Materials Project

doi:10.17188/1749043

Title: Materials Data on OsPt(N2Cl3)2 by Materials Project

Dataset
Other Related Research

Abstract

OsPt(N2Cl3)2 crystallizes in the orthorhombic Cmce space group. The structure is one-dimensional and consists of four OsPt(N2Cl3)2 ribbons oriented in the (0, 0, 1) direction. Os4+ is bonded in an octahedral geometry to six Cl1- atoms. There are four shorter (2.32 Å) and two longer (2.34 Å) Os–Cl bond lengths. Pt6+ is bonded in a square co-planar geometry to four equivalent N1- atoms. All Pt–N bond lengths are 1.94 Å. N1- is bonded in a distorted L-shaped geometry to one Pt6+ and one Cl1- atom. The N–Cl bond length is 1.76 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to one Os4+ and two equivalent N1- atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Os4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1192649

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; OsPt(N2Cl3)2; Cl-N-Os-Pt

OSTI Identifier:: 1749043

DOI:: https://doi.org/10.17188/1749043

Citation Formats


                    The Materials Project. Materials Data on OsPt(N2Cl3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1749043.

Copy to clipboard


                    The Materials Project. Materials Data on OsPt(N2Cl3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1749043

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on OsPt(N2Cl3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1749043.  https://www.osti.gov/servlets/purl/1749043. Pub date:Sun May 03 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1749043,

  title        = {Materials Data on OsPt(N2Cl3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {OsPt(N2Cl3)2 crystallizes in the orthorhombic Cmce space group. The structure is one-dimensional and consists of four OsPt(N2Cl3)2 ribbons oriented in the (0, 0, 1) direction. Os4+ is bonded in an octahedral geometry to six Cl1- atoms. There are four shorter (2.32 Å) and two longer (2.34 Å) Os–Cl bond lengths. Pt6+ is bonded in a square co-planar geometry to four equivalent N1- atoms. All Pt–N bond lengths are 1.94 Å. N1- is bonded in a distorted L-shaped geometry to one Pt6+ and one Cl1- atom. The N–Cl bond length is 1.76 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to one Os4+ and two equivalent N1- atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Os4+ atom.},

  doi          = {10.17188/1749043},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1749043

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on ZrS4(N2Cl3)2 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 SnH12Pt(N2Cl3)2 by Materials Project

Dataset The Materials Project

Pt(NH3)4SnCl6 is Halite, Rock Salt structured and crystallizes in the orthorhombic Cmce space group. The structure is zero-dimensional and consists of four Pt(NH3)4 clusters and four SnCl6 clusters. In each Pt(NH3)4 cluster, Pt2+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Pt–N bond lengths are 2.07 Å. N3- is bonded in a distorted trigonal non-coplanar geometry to one Pt2+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. 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 secondmore »« less
Materials Data on Ir(N2Cl3)2 by Materials Project

Dataset The Materials Project

IrCl6(N2)2 is Fluorite structured and crystallizes in the tetragonal I4mm space group. The structure is zero-dimensional and consists of four nitrogen molecules and two IrCl6 clusters. In each IrCl6 cluster, Ir4+ is bonded in an octahedral geometry to six Cl1- atoms. There are one shorter (2.27 Å) and five longer (2.31 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 Ir4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ir4+ atom. In the third Cl1- site, Cl1- ismore »« less
Materials Data on SnPt(N2Cl3)2 by Materials Project

Dataset The Materials Project

PtSn(N2Cl3)2 crystallizes in the orthorhombic Cmce space group. The structure is one-dimensional and consists of four PtSn(N2Cl3)2 ribbons oriented in the (1, 0, 0) direction. Pt6+ is bonded in a square co-planar geometry to four equivalent N1- atoms. All Pt–N bond lengths are 1.95 Å. Sn4+ is bonded in an octahedral geometry to six Cl1- atoms. There are two shorter (2.46 Å) and four longer (2.80 Å) Sn–Cl bond lengths. N1- is bonded in a bent 120 degrees geometry to one Pt6+ and one Cl1- atom. The N–Cl bond length is 1.69 Å. There are two inequivalent Cl1- sites. Inmore »« less
Materials Data on Cd(N2Cl3)2 by Materials Project

Dataset The Materials Project

CdN(NCl2)3 crystallizes in the trigonal R-3c space group. The structure is one-dimensional and consists of eighteen dichloramine molecules and three CdN ribbons oriented in the (0, 0, 1) direction. In each CdN ribbon, Cd2+ is bonded in a linear geometry to two equivalent N1+ atoms. Both Cd–N bond lengths are 1.99 Å. N1+ is bonded in a linear geometry to two equivalent Cd2+ atoms.

Similar Records