Materials Data on TlCo(NCl)6 by Materials Project

doi:10.17188/1734110

Title: Materials Data on TlCo(NCl)6 by Materials Project

Dataset

Abstract

CoTl(NCl)6 is Halite, Rock Salt structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of four cobalt molecules and four Tl(NCl)6 clusters. In each Tl(NCl)6 cluster, Tl1+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Tl–Cl bond lengths are 3.81 Å. N+0.33+ is bonded in a single-bond geometry to one Cl1- atom. The N–Cl bond length is 1.66 Å. Cl1- is bonded in a distorted single-bond geometry to one Tl1+ and one N+0.33+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-01

Other Number(s):: mp-1199809

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; TlCo(NCl)6; Cl-Co-N-Tl

OSTI Identifier:: 1734110

DOI:: https://doi.org/10.17188/1734110

Citation Formats


                    The Materials Project. Materials Data on TlCo(NCl)6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1734110.

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                    The Materials Project. Materials Data on TlCo(NCl)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1734110

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                    The Materials Project. 2020.  
"Materials Data on TlCo(NCl)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1734110.  https://www.osti.gov/servlets/purl/1734110. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1734110,

  title        = {Materials Data on TlCo(NCl)6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CoTl(NCl)6 is Halite, Rock Salt structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of four cobalt molecules and four Tl(NCl)6 clusters. In each Tl(NCl)6 cluster, Tl1+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Tl–Cl bond lengths are 3.81 Å. N+0.33+ is bonded in a single-bond geometry to one Cl1- atom. The N–Cl bond length is 1.66 Å. Cl1- is bonded in a distorted single-bond geometry to one Tl1+ and one N+0.33+ atom.},

  doi          = {10.17188/1734110},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1734110

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