Materials Data on Sm(SiIr)2 by Materials Project

doi:10.17188/1682705

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

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Abstract

SmIr2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm2+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are four shorter (3.19 Å) and four longer (3.20 Å) Sm–Si bond lengths. There are two inequivalent Ir3+ sites. In the first Ir3+ site, Ir3+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing IrSi4 tetrahedra. All Ir–Si bond lengths are 2.45 Å. In the second Ir3+ site, Ir3+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are one shorter (2.40 Å) and four longer (2.44 Å) Ir–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 4-coordinate geometry to four equivalent Sm2+ and four equivalent Ir3+ atoms. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Sm2+ and five Ir3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1087538

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

OSTI Identifier:: 1682705

DOI:: https://doi.org/10.17188/1682705

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                    The Materials Project. Materials Data on Sm(SiIr)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1682705.

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                    The Materials Project. Materials Data on Sm(SiIr)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1682705

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                    The Materials Project. 2020.  
"Materials Data on Sm(SiIr)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1682705.  https://www.osti.gov/servlets/purl/1682705. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1682705,

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

  author       = {The Materials Project},

  abstractNote = {SmIr2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm2+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are four shorter (3.19 Å) and four longer (3.20 Å) Sm–Si bond lengths. There are two inequivalent Ir3+ sites. In the first Ir3+ site, Ir3+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing IrSi4 tetrahedra. All Ir–Si bond lengths are 2.45 Å. In the second Ir3+ site, Ir3+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are one shorter (2.40 Å) and four longer (2.44 Å) Ir–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 4-coordinate geometry to four equivalent Sm2+ and four equivalent Ir3+ atoms. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Sm2+ and five Ir3+ atoms.},

  doi          = {10.17188/1682705},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1682705

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Materials Data on Sm(SiIr)2 by Materials Project

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