Materials Data on Rb2Hg2PdBr8 by Materials Project

doi:10.17188/1273908

Title: Materials Data on Rb2Hg2PdBr8 by Materials Project

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Abstract

Rb2PdHg2Br8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.59–4.00 Å. Pd2+ is bonded in a square co-planar geometry to four equivalent Br1- atoms. All Pd–Br bond lengths are 2.48 Å. Hg2+ is bonded in a 2-coordinate geometry to five Br1- atoms. There are a spread of Hg–Br bond distances ranging from 2.49–3.50 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Hg2+ atom. In the second Br1- site, Br1- is bonded to three equivalent Rb1+, one Pd2+, and one Hg2+ atom to form a mixture of distorted corner, edge, and face-sharing BrRb3HgPd square pyramids. In the third Br1- site, Br1- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and two equivalent Hg2+ atoms.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-567515

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; Rb2Hg2PdBr8; Br-Hg-Pd-Rb

OSTI Identifier:: 1273908

DOI:: https://doi.org/10.17188/1273908

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                    The Materials Project. Materials Data on Rb2Hg2PdBr8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1273908.

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                    The Materials Project. Materials Data on Rb2Hg2PdBr8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1273908

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                    The Materials Project. 2020.  
"Materials Data on Rb2Hg2PdBr8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1273908.  https://www.osti.gov/servlets/purl/1273908. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1273908,

  title        = {Materials Data on Rb2Hg2PdBr8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2PdHg2Br8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.59–4.00 Å. Pd2+ is bonded in a square co-planar geometry to four equivalent Br1- atoms. All Pd–Br bond lengths are 2.48 Å. Hg2+ is bonded in a 2-coordinate geometry to five Br1- atoms. There are a spread of Hg–Br bond distances ranging from 2.49–3.50 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Hg2+ atom. In the second Br1- site, Br1- is bonded to three equivalent Rb1+, one Pd2+, and one Hg2+ atom to form a mixture of distorted corner, edge, and face-sharing BrRb3HgPd square pyramids. In the third Br1- site, Br1- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and two equivalent Hg2+ atoms.},

  doi          = {10.17188/1273908},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1273908

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