Materials Data on Bi12PtCl12 by Materials Project

doi:10.17188/1277023

Title: Materials Data on Bi12PtCl12 by Materials Project

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Abstract

PtBi7Cl12(Bi)5 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of five bismuth molecules and one PtBi7Cl12 cluster. In the PtBi7Cl12 cluster, Pt2- is bonded in an octahedral geometry to six Bi+1.17+ atoms. There are five shorter (2.75 Å) and one longer (2.76 Å) Pt–Bi bond lengths. There are seven inequivalent Bi+1.17+ sites. In the first Bi+1.17+ site, Bi+1.17+ is bonded to one Pt2- and four Cl1- atoms to form a mixture of corner and edge-sharing BiPtCl4 square pyramids. There are a spread of Bi–Cl bond distances ranging from 2.79–2.83 Å. In the second Bi+1.17+ site, Bi+1.17+ is bonded to one Pt2- and four Cl1- atoms to form a mixture of corner and edge-sharing BiPtCl4 square pyramids. There are a spread of Bi–Cl bond distances ranging from 2.79–2.84 Å. In the third Bi+1.17+ site, Bi+1.17+ is bonded to one Pt2- and four Cl1- atoms to form a mixture of corner and edge-sharing BiPtCl4 square pyramids. There are a spread of Bi–Cl bond distances ranging from 2.78–2.85 Å. In the fourth Bi+1.17+ site, Bi+1.17+ is bonded in a single-bond geometry to one Cl1- atom. The Bi–Cl bond length is 3.41 Å. In the fifth Bi+1.17+ site, Bi+1.17+more »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-582988

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; Bi12PtCl12; Bi-Cl-Pt

OSTI Identifier:: 1277023

DOI:: https://doi.org/10.17188/1277023

Citation Formats


                    The Materials Project. Materials Data on Bi12PtCl12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1277023.

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                    The Materials Project. Materials Data on Bi12PtCl12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1277023

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                    The Materials Project. 2020.  
"Materials Data on Bi12PtCl12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1277023.  https://www.osti.gov/servlets/purl/1277023. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1277023,

  title        = {Materials Data on Bi12PtCl12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PtBi7Cl12(Bi)5 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of five bismuth molecules and one PtBi7Cl12 cluster. In the PtBi7Cl12 cluster, Pt2- is bonded in an octahedral geometry to six Bi+1.17+ atoms. There are five shorter (2.75 Å) and one longer (2.76 Å) Pt–Bi bond lengths. There are seven inequivalent Bi+1.17+ sites. In the first Bi+1.17+ site, Bi+1.17+ is bonded to one Pt2- and four Cl1- atoms to form a mixture of corner and edge-sharing BiPtCl4 square pyramids. There are a spread of Bi–Cl bond distances ranging from 2.79–2.83 Å. In the second Bi+1.17+ site, Bi+1.17+ is bonded to one Pt2- and four Cl1- atoms to form a mixture of corner and edge-sharing BiPtCl4 square pyramids. There are a spread of Bi–Cl bond distances ranging from 2.79–2.84 Å. In the third Bi+1.17+ site, Bi+1.17+ is bonded to one Pt2- and four Cl1- atoms to form a mixture of corner and edge-sharing BiPtCl4 square pyramids. There are a spread of Bi–Cl bond distances ranging from 2.78–2.85 Å. In the fourth Bi+1.17+ site, Bi+1.17+ is bonded in a single-bond geometry to one Cl1- atom. The Bi–Cl bond length is 3.41 Å. In the fifth Bi+1.17+ site, Bi+1.17+ is bonded to one Pt2- and four Cl1- atoms to form a mixture of corner and edge-sharing BiPtCl4 square pyramids. There are a spread of Bi–Cl bond distances ranging from 2.78–2.85 Å. In the sixth Bi+1.17+ site, Bi+1.17+ is bonded to one Pt2- and four Cl1- atoms to form a mixture of corner and edge-sharing BiPtCl4 square pyramids. There are a spread of Bi–Cl bond distances ranging from 2.80–2.83 Å. In the seventh Bi+1.17+ site, Bi+1.17+ is bonded to one Pt2- and four Cl1- atoms to form a mixture of corner and edge-sharing BiPtCl4 square pyramids. There are a spread of Bi–Cl bond distances ranging from 2.78–2.86 Å. There are twelve inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+1.17+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+1.17+ atoms. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+1.17+ atoms. In the fourth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+1.17+ atoms. In the fifth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+1.17+ atoms. In the sixth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+1.17+ atoms. In the seventh Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+1.17+ atoms. In the eighth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+1.17+ atoms. In the ninth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+1.17+ atoms. In the tenth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+1.17+ atoms. In the eleventh Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+1.17+ atoms. In the twelfth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to three Bi+1.17+ atoms.},

  doi          = {10.17188/1277023},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1277023

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