Materials Data on Pd(SeBr3)2 by Materials Project

doi:10.17188/1203970

Title: Materials Data on Pd(SeBr3)2 by Materials Project

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Abstract

Pd(SeBr3)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one Pd(SeBr3)2 ribbon oriented in the (1, 0, 0) direction. Pd4+ is bonded in a distorted square co-planar geometry to two equivalent Se2- and two equivalent Br atoms. Both Pd–Se bond lengths are 2.44 Å. Both Pd–Br bond lengths are 2.47 Å. Se2- is bonded in a 5-coordinate geometry to one Pd4+ and four Br atoms. There are a spread of Se–Br bond distances ranging from 2.37–3.14 Å. There are three inequivalent Br sites. In the first Br site, Br is bonded in a 1-coordinate geometry to one Pd4+ and two equivalent Se2- atoms. In the second Br site, Br is bonded in a single-bond geometry to one Se2- atom. In the third Br site, Br is bonded in a single-bond geometry to one Se2- atom.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-29496

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; Pd(SeBr3)2; Br-Pd-Se

OSTI Identifier:: 1203970

DOI:: https://doi.org/10.17188/1203970

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                    The Materials Project. Materials Data on Pd(SeBr3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203970.

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                    The Materials Project. Materials Data on Pd(SeBr3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1203970

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                    The Materials Project. 2020.  
"Materials Data on Pd(SeBr3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1203970.  https://www.osti.gov/servlets/purl/1203970. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1203970,

  title        = {Materials Data on Pd(SeBr3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pd(SeBr3)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one Pd(SeBr3)2 ribbon oriented in the (1, 0, 0) direction. Pd4+ is bonded in a distorted square co-planar geometry to two equivalent Se2- and two equivalent Br atoms. Both Pd–Se bond lengths are 2.44 Å. Both Pd–Br bond lengths are 2.47 Å. Se2- is bonded in a 5-coordinate geometry to one Pd4+ and four Br atoms. There are a spread of Se–Br bond distances ranging from 2.37–3.14 Å. There are three inequivalent Br sites. In the first Br site, Br is bonded in a 1-coordinate geometry to one Pd4+ and two equivalent Se2- atoms. In the second Br site, Br is bonded in a single-bond geometry to one Se2- atom. In the third Br site, Br is bonded in a single-bond geometry to one Se2- atom.},

  doi          = {10.17188/1203970},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1203970

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