Materials Data on PtCl3 by Materials Project

doi:10.17188/1205449

Title: Materials Data on PtCl3 by Materials Project

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Abstract

PtCl3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Pt sites. In the first Pt site, Pt is bonded to six Cl atoms to form PtCl6 octahedra that share a cornercorner with one PtCl5 square pyramid and edges with two equivalent PtCl6 octahedra. There are a spread of Pt–Cl bond distances ranging from 2.31–2.46 Å. In the second Pt site, Pt is bonded to five Cl atoms to form PtCl5 square pyramids that share a cornercorner with one PtCl6 octahedra and corners with four equivalent PtCl5 square pyramids. The corner-sharing octahedral tilt angles are 3°. There are four shorter (2.33 Å) and one longer (2.95 Å) Pt–Cl bond lengths. There are six inequivalent Cl sites. In the first Cl site, Cl is bonded in an L-shaped geometry to two equivalent Pt atoms. In the second Cl site, Cl is bonded in a linear geometry to two Pt atoms. In the third Cl site, Cl is bonded in a single-bond geometry to one Pt atom. In the fourth Cl site, Cl is bonded in an L-shaped geometry to two equivalent Pt atoms. In the fifth Cl site, Cl is bonded in an L-shaped geometrymore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-31134

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; PtCl3; Cl-Pt

OSTI Identifier:: 1205449

DOI:: https://doi.org/10.17188/1205449

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                    The Materials Project. Materials Data on PtCl3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205449.

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                    The Materials Project. Materials Data on PtCl3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205449

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                    The Materials Project. 2020.  
"Materials Data on PtCl3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205449.  https://www.osti.gov/servlets/purl/1205449. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1205449,

  title        = {Materials Data on PtCl3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PtCl3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Pt sites. In the first Pt site, Pt is bonded to six Cl atoms to form PtCl6 octahedra that share a cornercorner with one PtCl5 square pyramid and edges with two equivalent PtCl6 octahedra. There are a spread of Pt–Cl bond distances ranging from 2.31–2.46 Å. In the second Pt site, Pt is bonded to five Cl atoms to form PtCl5 square pyramids that share a cornercorner with one PtCl6 octahedra and corners with four equivalent PtCl5 square pyramids. The corner-sharing octahedral tilt angles are 3°. There are four shorter (2.33 Å) and one longer (2.95 Å) Pt–Cl bond lengths. There are six inequivalent Cl sites. In the first Cl site, Cl is bonded in an L-shaped geometry to two equivalent Pt atoms. In the second Cl site, Cl is bonded in a linear geometry to two Pt atoms. In the third Cl site, Cl is bonded in a single-bond geometry to one Pt atom. In the fourth Cl site, Cl is bonded in an L-shaped geometry to two equivalent Pt atoms. In the fifth Cl site, Cl is bonded in an L-shaped geometry to two equivalent Pt atoms. In the sixth Cl site, Cl is bonded in a water-like geometry to two equivalent Pt atoms.},

  doi          = {10.17188/1205449},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1205449

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