Materials Data on Ce(SiIr)2 by Materials Project

doi:10.17188/1197239

Title: Materials Data on Ce(SiIr)2 by Materials Project

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Abstract

CeIr2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce is bonded in a 4-coordinate geometry to eight Ir and eight Si atoms. There are four shorter (3.16 Å) and four longer (3.29 Å) Ce–Ir bond lengths. There are four shorter (3.19 Å) and four longer (3.20 Å) Ce–Si bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to four equivalent Ce and five Si atoms. There are one shorter (2.41 Å) and four longer (2.43 Å) Ir–Si bond lengths. In the second Ir site, Ir is bonded to four equivalent Ce and four equivalent Si atoms to form a mixture of distorted edge and face-sharing IrCe4Si4 tetrahedra. All Ir–Si bond lengths are 2.45 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent Ce and five Ir atoms. In the second Si site, Si is bonded in a 4-coordinate geometry to four equivalent Ce and four equivalent Ir atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-21900

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; Ce(SiIr)2; Ce-Ir-Si

OSTI Identifier:: 1197239

DOI:: https://doi.org/10.17188/1197239

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                    The Materials Project. Materials Data on Ce(SiIr)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197239.

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                    The Materials Project. Materials Data on Ce(SiIr)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1197239

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                    The Materials Project. 2020.  
"Materials Data on Ce(SiIr)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1197239.  https://www.osti.gov/servlets/purl/1197239. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1197239,

  title        = {Materials Data on Ce(SiIr)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CeIr2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce is bonded in a 4-coordinate geometry to eight Ir and eight Si atoms. There are four shorter (3.16 Å) and four longer (3.29 Å) Ce–Ir bond lengths. There are four shorter (3.19 Å) and four longer (3.20 Å) Ce–Si bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to four equivalent Ce and five Si atoms. There are one shorter (2.41 Å) and four longer (2.43 Å) Ir–Si bond lengths. In the second Ir site, Ir is bonded to four equivalent Ce and four equivalent Si atoms to form a mixture of distorted edge and face-sharing IrCe4Si4 tetrahedra. All Ir–Si bond lengths are 2.45 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent Ce and five Ir atoms. In the second Si site, Si is bonded in a 4-coordinate geometry to four equivalent Ce and four equivalent Ir atoms.},

  doi          = {10.17188/1197239},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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Materials Data on Ce(SiIr)2 by Materials Project

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