Materials Data on Pd16S7 by Materials Project

doi:10.17188/1207641

Title: Materials Data on Pd16S7 by Materials Project

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Abstract

Pd16S7 crystallizes in the cubic I-43m space group. The structure is three-dimensional and consists of two Pd16S7 frameworks. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a linear geometry to two S atoms. There are one shorter (2.29 Å) and one longer (2.34 Å) Pd–S bond lengths. In the second Pd site, Pd is bonded in a distorted trigonal non-coplanar geometry to three equivalent S atoms. All Pd–S bond lengths are 2.51 Å. There are two inequivalent S sites. In the first S site, S is bonded to four equivalent Pd atoms to form distorted corner-sharing SPd4 trigonal pyramids. In the second S site, S is bonded to six Pd atoms to form distorted SPd6 pentagonal pyramids that share corners with three equivalent SPd4 trigonal pyramids and edges with three equivalent SPd6 pentagonal pyramids.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-393

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; Pd16S7; Pd-S

OSTI Identifier:: 1207641

DOI:: https://doi.org/10.17188/1207641

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                    The Materials Project. Materials Data on Pd16S7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207641.

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                    The Materials Project. Materials Data on Pd16S7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207641

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                    The Materials Project. 2020.  
"Materials Data on Pd16S7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207641.  https://www.osti.gov/servlets/purl/1207641. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1207641,

  title        = {Materials Data on Pd16S7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pd16S7 crystallizes in the cubic I-43m space group. The structure is three-dimensional and consists of two Pd16S7 frameworks. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a linear geometry to two S atoms. There are one shorter (2.29 Å) and one longer (2.34 Å) Pd–S bond lengths. In the second Pd site, Pd is bonded in a distorted trigonal non-coplanar geometry to three equivalent S atoms. All Pd–S bond lengths are 2.51 Å. There are two inequivalent S sites. In the first S site, S is bonded to four equivalent Pd atoms to form distorted corner-sharing SPd4 trigonal pyramids. In the second S site, S is bonded to six Pd atoms to form distorted SPd6 pentagonal pyramids that share corners with three equivalent SPd4 trigonal pyramids and edges with three equivalent SPd6 pentagonal pyramids.},

  doi          = {10.17188/1207641},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1207641

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