Materials Data on CrPdBr4N5Cl by Materials Project

doi:10.17188/1652202

Title: Materials Data on CrPdBr4N5Cl by Materials Project

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Abstract

PdCrN5Cl(Br)4 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of sixteen hydrobromic acid molecules, four palladium molecules, and four CrN5Cl clusters. In each CrN5Cl cluster, Cr6+ is bonded in a 4-coordinate geometry to three N3- and one Cl1- atom. There is two shorter (1.62 Å) and one longer (2.21 Å) Cr–N bond length. The Cr–Cl bond length is 2.16 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one Cr6+ atom. In the second N3- site, N3- is bonded in a T-shaped geometry to one Cr6+ and two equivalent N3- atoms. Both N–N bond lengths are 1.20 Å. In the third N3- site, N3- is bonded in a 1-coordinate geometry to one N3- atom. Cl1- is bonded in a single-bond geometry to one Cr6+ atom.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1203543

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; CrPdBr4N5Cl; Br-Cl-Cr-N-Pd

OSTI Identifier:: 1652202

DOI:: https://doi.org/10.17188/1652202

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                    The Materials Project. Materials Data on CrPdBr4N5Cl by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1652202.

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                    The Materials Project. Materials Data on CrPdBr4N5Cl by Materials Project.  United States.  doi:https://doi.org/10.17188/1652202

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                    The Materials Project. 2020.  
"Materials Data on CrPdBr4N5Cl by Materials Project".  United States.  doi:https://doi.org/10.17188/1652202.  https://www.osti.gov/servlets/purl/1652202. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1652202,

  title        = {Materials Data on CrPdBr4N5Cl by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PdCrN5Cl(Br)4 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of sixteen hydrobromic acid molecules, four palladium molecules, and four CrN5Cl clusters. In each CrN5Cl cluster, Cr6+ is bonded in a 4-coordinate geometry to three N3- and one Cl1- atom. There is two shorter (1.62 Å) and one longer (2.21 Å) Cr–N bond length. The Cr–Cl bond length is 2.16 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one Cr6+ atom. In the second N3- site, N3- is bonded in a T-shaped geometry to one Cr6+ and two equivalent N3- atoms. Both N–N bond lengths are 1.20 Å. In the third N3- site, N3- is bonded in a 1-coordinate geometry to one N3- atom. Cl1- is bonded in a single-bond geometry to one Cr6+ atom.},

  doi          = {10.17188/1652202},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1652202

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