Materials Data on In3Pd5 by Materials Project

doi:10.17188/1197375

Title: Materials Data on In3Pd5 by Materials Project

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Abstract

In3Pd5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 12-coordinate geometry to six In atoms. There are a spread of Pd–In bond distances ranging from 2.75–3.04 Å. In the second Pd site, Pd is bonded in a 12-coordinate geometry to five In atoms. There are a spread of Pd–In bond distances ranging from 2.77–2.86 Å. In the third Pd site, Pd is bonded to six In atoms to form a mixture of distorted corner and edge-sharing PdIn6 cuboctahedra. There are four shorter (2.85 Å) and two longer (2.89 Å) Pd–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to ten Pd atoms. In the second In site, In is bonded in a distorted body-centered cubic geometry to eight Pd atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-22146

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; In3Pd5; In-Pd

OSTI Identifier:: 1197375

DOI:: https://doi.org/10.17188/1197375

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                    The Materials Project. Materials Data on In3Pd5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197375.

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                    The Materials Project. Materials Data on In3Pd5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1197375

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                    The Materials Project. 2020.  
"Materials Data on In3Pd5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1197375.  https://www.osti.gov/servlets/purl/1197375. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1197375,

  title        = {Materials Data on In3Pd5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {In3Pd5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 12-coordinate geometry to six In atoms. There are a spread of Pd–In bond distances ranging from 2.75–3.04 Å. In the second Pd site, Pd is bonded in a 12-coordinate geometry to five In atoms. There are a spread of Pd–In bond distances ranging from 2.77–2.86 Å. In the third Pd site, Pd is bonded to six In atoms to form a mixture of distorted corner and edge-sharing PdIn6 cuboctahedra. There are four shorter (2.85 Å) and two longer (2.89 Å) Pd–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to ten Pd atoms. In the second In site, In is bonded in a distorted body-centered cubic geometry to eight Pd atoms.},

  doi          = {10.17188/1197375},

  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/10.17188/1197375

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