Materials Data on PdAu2(NCl2)4 by Materials Project

doi:10.17188/1746489

Title: Materials Data on PdAu2(NCl2)4 by Materials Project

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Abstract

PdAu2(NCl2)4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Pd2+ is bonded in a 2-coordinate geometry to two equivalent N1- and two equivalent Cl1- atoms. Both Pd–N bond lengths are 1.72 Å. Both Pd–Cl bond lengths are 2.36 Å. Au5+ is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Au–Cl bond distances ranging from 2.19–2.28 Å. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted single-bond geometry to one Pd2+, one N1-, and one Cl1- atom. The N–N bond length is 2.75 Å. The N–Cl bond length is 2.22 Å. In the second N1- site, N1- is bonded in a 4-coordinate geometry to one N1- and three Cl1- atoms. There are a spread of N–Cl bond distances ranging from 2.39–3.00 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Pd2+ and one Au5+ atom. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to one Au5+ and two N1- atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to onemore »« less

Authors:: The Materials Project

Publication Date:: 2018-07-19

Other Number(s):: mp-1105104

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; PdAu2(NCl2)4; Au-Cl-N-Pd

OSTI Identifier:: 1746489

DOI:: https://doi.org/10.17188/1746489

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                    The Materials Project. Materials Data on PdAu2(NCl2)4 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1746489.

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                    The Materials Project. Materials Data on PdAu2(NCl2)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1746489

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                    The Materials Project. 2018.  
"Materials Data on PdAu2(NCl2)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1746489.  https://www.osti.gov/servlets/purl/1746489. Pub date:Thu Jul 19 00:00:00 EDT 2018

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@article{osti_1746489,

  title        = {Materials Data on PdAu2(NCl2)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PdAu2(NCl2)4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Pd2+ is bonded in a 2-coordinate geometry to two equivalent N1- and two equivalent Cl1- atoms. Both Pd–N bond lengths are 1.72 Å. Both Pd–Cl bond lengths are 2.36 Å. Au5+ is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Au–Cl bond distances ranging from 2.19–2.28 Å. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted single-bond geometry to one Pd2+, one N1-, and one Cl1- atom. The N–N bond length is 2.75 Å. The N–Cl bond length is 2.22 Å. In the second N1- site, N1- is bonded in a 4-coordinate geometry to one N1- and three Cl1- atoms. There are a spread of N–Cl bond distances ranging from 2.39–3.00 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Pd2+ and one Au5+ atom. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to one Au5+ and two N1- atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Au5+ atom. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Au5+ and two equivalent N1- atoms.},

  doi          = {10.17188/1746489},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1746489

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