Materials Data on Y3Si3Pd2 by Materials Project

doi:10.17188/1190576

Title: Materials Data on Y3Si3Pd2 by Materials Project

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Abstract

Y3Pd2Si3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 10-coordinate geometry to four equivalent Pd and six Si atoms. There are a spread of Y–Pd bond distances ranging from 3.06–3.16 Å. There are a spread of Y–Si bond distances ranging from 3.01–3.11 Å. In the second Y site, Y is bonded in a 9-coordinate geometry to four equivalent Pd and five Si atoms. All Y–Pd bond lengths are 3.15 Å. There are a spread of Y–Si bond distances ranging from 3.00–3.10 Å. Pd is bonded in a 10-coordinate geometry to six Y and four Si atoms. There are a spread of Pd–Si bond distances ranging from 2.50–2.74 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to seven Y and two equivalent Pd atoms. In the second Si site, Si is bonded in a 10-coordinate geometry to five Y, three equivalent Pd, and one Si atom. The Si–Si bond length is 2.48 Å.

Authors:: The Materials Project

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

Other Number(s):: mp-14244

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; Y3Si3Pd2; Pd-Si-Y

OSTI Identifier:: 1190576

DOI:: https://doi.org/10.17188/1190576

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                    The Materials Project. Materials Data on Y3Si3Pd2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1190576.

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                    The Materials Project. Materials Data on Y3Si3Pd2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1190576

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                    The Materials Project. 2020.  
"Materials Data on Y3Si3Pd2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1190576.  https://www.osti.gov/servlets/purl/1190576. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1190576,

  title        = {Materials Data on Y3Si3Pd2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Y3Pd2Si3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 10-coordinate geometry to four equivalent Pd and six Si atoms. There are a spread of Y–Pd bond distances ranging from 3.06–3.16 Å. There are a spread of Y–Si bond distances ranging from 3.01–3.11 Å. In the second Y site, Y is bonded in a 9-coordinate geometry to four equivalent Pd and five Si atoms. All Y–Pd bond lengths are 3.15 Å. There are a spread of Y–Si bond distances ranging from 3.00–3.10 Å. Pd is bonded in a 10-coordinate geometry to six Y and four Si atoms. There are a spread of Pd–Si bond distances ranging from 2.50–2.74 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to seven Y and two equivalent Pd atoms. In the second Si site, Si is bonded in a 10-coordinate geometry to five Y, three equivalent Pd, and one Si atom. The Si–Si bond length is 2.48 Å.},

  doi          = {10.17188/1190576},

  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/10.17188/1190576

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