Materials Data on CeSiPd by Materials Project

doi:10.17188/1666525

Title: Materials Data on CeSiPd by Materials Project

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Abstract

CePdSi crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 7-coordinate geometry to one Ce, seven Pd, and five Si atoms. The Ce–Ce bond length is 3.40 Å. There are a spread of Ce–Pd bond distances ranging from 2.98–3.44 Å. There are a spread of Ce–Si bond distances ranging from 3.06–3.40 Å. In the second Ce site, Ce is bonded to five Pd and seven Si atoms to form a mixture of distorted edge and face-sharing CeSi7Pd5 cuboctahedra. There are a spread of Ce–Pd bond distances ranging from 3.04–3.40 Å. There are a spread of Ce–Si bond distances ranging from 3.11–3.26 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 12-coordinate geometry to six Ce and three equivalent Si atoms. There are a spread of Pd–Si bond distances ranging from 2.44–2.60 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six Ce and three Si atoms. There are a spread of Pd–Si bond distances ranging from 2.45–2.52 Å. There are two inequivalent Si sites. In the first Si site,more »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-1213807

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; CeSiPd; Ce-Pd-Si

OSTI Identifier:: 1666525

DOI:: https://doi.org/10.17188/1666525

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                    The Materials Project. Materials Data on CeSiPd by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1666525.

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                    The Materials Project. Materials Data on CeSiPd by Materials Project.  United States.  doi:https://doi.org/10.17188/1666525

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                    The Materials Project. 2020.  
"Materials Data on CeSiPd by Materials Project".  United States.  doi:https://doi.org/10.17188/1666525.  https://www.osti.gov/servlets/purl/1666525. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1666525,

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

  author       = {The Materials Project},

  abstractNote = {CePdSi crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 7-coordinate geometry to one Ce, seven Pd, and five Si atoms. The Ce–Ce bond length is 3.40 Å. There are a spread of Ce–Pd bond distances ranging from 2.98–3.44 Å. There are a spread of Ce–Si bond distances ranging from 3.06–3.40 Å. In the second Ce site, Ce is bonded to five Pd and seven Si atoms to form a mixture of distorted edge and face-sharing CeSi7Pd5 cuboctahedra. There are a spread of Ce–Pd bond distances ranging from 3.04–3.40 Å. There are a spread of Ce–Si bond distances ranging from 3.11–3.26 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 12-coordinate geometry to six Ce and three equivalent Si atoms. There are a spread of Pd–Si bond distances ranging from 2.44–2.60 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six Ce and three Si atoms. There are a spread of Pd–Si bond distances ranging from 2.45–2.52 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 2-coordinate geometry to six Ce, two equivalent Pd, and one Si atom. The Si–Si bond length is 2.33 Å. In the second Si site, Si is bonded in a 10-coordinate geometry to six Ce and four Pd atoms.},

  doi          = {10.17188/1666525},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1666525

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