Materials Data on Sm3(SiIr)2 by Materials Project

doi:10.17188/1204422

Title: Materials Data on Sm3(SiIr)2 by Materials Project

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Abstract

Sm3Ir2Si2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 2-coordinate geometry to five Ir and four equivalent Si atoms. There are a spread of Sm–Ir bond distances ranging from 3.00–3.47 Å. There are three shorter (3.07 Å) and one longer (3.13 Å) Sm–Si bond lengths. In the second Sm site, Sm is bonded in a 9-coordinate geometry to five Ir and four equivalent Si atoms. There are a spread of Sm–Ir bond distances ranging from 2.99–3.36 Å. All Sm–Si bond lengths are 3.11 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to seven Sm and two equivalent Si atoms. Both Ir–Si bond lengths are 2.54 Å. In the second Ir site, Ir is bonded to eight Sm and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing IrSm8Si4 cuboctahedra. All Ir–Si bond lengths are 2.47 Å. Si is bonded in a 3-coordinate geometry to six Sm, three Ir, and one Si atom. The Si–Si bond length is 2.71 Å.

Authors:: The Materials Project

Publication Date:: Wed May 10 00:00:00 EDT 2017

Other Number(s):: mp-29989

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; Sm3(SiIr)2; Ir-Si-Sm

OSTI Identifier:: 1204422

DOI:: https://doi.org/10.17188/1204422

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                    The Materials Project. Materials Data on Sm3(SiIr)2 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1204422.

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                    The Materials Project. Materials Data on Sm3(SiIr)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204422

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                    The Materials Project. 2017.  
"Materials Data on Sm3(SiIr)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204422.  https://www.osti.gov/servlets/purl/1204422. Pub date:Wed May 10 00:00:00 EDT 2017

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@article{osti_1204422,

  title        = {Materials Data on Sm3(SiIr)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sm3Ir2Si2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 2-coordinate geometry to five Ir and four equivalent Si atoms. There are a spread of Sm–Ir bond distances ranging from 3.00–3.47 Å. There are three shorter (3.07 Å) and one longer (3.13 Å) Sm–Si bond lengths. In the second Sm site, Sm is bonded in a 9-coordinate geometry to five Ir and four equivalent Si atoms. There are a spread of Sm–Ir bond distances ranging from 2.99–3.36 Å. All Sm–Si bond lengths are 3.11 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to seven Sm and two equivalent Si atoms. Both Ir–Si bond lengths are 2.54 Å. In the second Ir site, Ir is bonded to eight Sm and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing IrSm8Si4 cuboctahedra. All Ir–Si bond lengths are 2.47 Å. Si is bonded in a 3-coordinate geometry to six Sm, three Ir, and one Si atom. The Si–Si bond length is 2.71 Å.},

  doi          = {10.17188/1204422},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed May 10 00:00:00 EDT 2017},

  month        = {Wed May 10 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1204422

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