Materials Data on CaIn4Pd by Materials Project

doi:10.17188/1195255

Title: Materials Data on CaIn4Pd by Materials Project

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Abstract

CaPdIn4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ca is bonded in a 7-coordinate geometry to two equivalent Pd and eleven In atoms. Both Ca–Pd bond lengths are 3.34 Å. There are a spread of Ca–In bond distances ranging from 3.27–3.66 Å. Pd is bonded in a 9-coordinate geometry to two equivalent Ca and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.74–2.83 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to three equivalent Ca, three equivalent Pd, and one In atom. The In–In bond length is 3.11 Å. In the second In site, In is bonded in a distorted linear geometry to one Ca, one Pd, and four equivalent In atoms. All In–In bond lengths are 3.16 Å. In the third In site, In is bonded in a distorted q6 geometry to four equivalent Ca and six In atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-17

Other Number(s):: mp-20108

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; CaIn4Pd; Ca-In-Pd

OSTI Identifier:: 1195255

DOI:: https://doi.org/10.17188/1195255

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                    The Materials Project. Materials Data on CaIn4Pd by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195255.

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                    The Materials Project. Materials Data on CaIn4Pd by Materials Project.  United States.  doi:https://doi.org/10.17188/1195255

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                    The Materials Project. 2020.  
"Materials Data on CaIn4Pd by Materials Project".  United States.  doi:https://doi.org/10.17188/1195255.  https://www.osti.gov/servlets/purl/1195255. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1195255,

  title        = {Materials Data on CaIn4Pd by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CaPdIn4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ca is bonded in a 7-coordinate geometry to two equivalent Pd and eleven In atoms. Both Ca–Pd bond lengths are 3.34 Å. There are a spread of Ca–In bond distances ranging from 3.27–3.66 Å. Pd is bonded in a 9-coordinate geometry to two equivalent Ca and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.74–2.83 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to three equivalent Ca, three equivalent Pd, and one In atom. The In–In bond length is 3.11 Å. In the second In site, In is bonded in a distorted linear geometry to one Ca, one Pd, and four equivalent In atoms. All In–In bond lengths are 3.16 Å. In the third In site, In is bonded in a distorted q6 geometry to four equivalent Ca and six In atoms.},

  doi          = {10.17188/1195255},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1195255

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