Materials Data on Tl3PdCl5 by Materials Project

doi:10.17188/1203849

Title: Materials Data on Tl3PdCl5 by Materials Project

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Abstract

PdTl3Cl5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Pd2+ is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Pd–Cl bond distances ranging from 2.32–2.34 Å. There are three inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.03–3.79 Å. In the second Tl1+ site, Tl1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.24–3.86 Å. In the third Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.14–3.77 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 6-coordinate geometry to six Tl1+ atoms. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Pd2+ and five Tl1+ atoms. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Pd2+ and five Tl1+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to onemore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-29460

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; Tl3PdCl5; Cl-Pd-Tl

OSTI Identifier:: 1203849

DOI:: https://doi.org/10.17188/1203849

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                    The Materials Project. Materials Data on Tl3PdCl5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203849.

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                    The Materials Project. Materials Data on Tl3PdCl5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1203849

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                    The Materials Project. 2020.  
"Materials Data on Tl3PdCl5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1203849.  https://www.osti.gov/servlets/purl/1203849. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1203849,

  title        = {Materials Data on Tl3PdCl5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PdTl3Cl5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Pd2+ is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Pd–Cl bond distances ranging from 2.32–2.34 Å. There are three inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.03–3.79 Å. In the second Tl1+ site, Tl1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.24–3.86 Å. In the third Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.14–3.77 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 6-coordinate geometry to six Tl1+ atoms. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Pd2+ and five Tl1+ atoms. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Pd2+ and five Tl1+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to one Pd2+ and four Tl1+ atoms. In the fifth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Pd2+ and five Tl1+ atoms.},

  doi          = {10.17188/1203849},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1203849

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