Materials Data on Sm3Ir by Materials Project

doi:10.17188/1287743

Title: Materials Data on Sm3Ir by Materials Project

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Abstract

Sm3Ir is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Sm3Ir sheets oriented in the (0, 0, 1) direction. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a distorted bent 150 degrees geometry to two equivalent Ir atoms. There are one shorter (2.84 Å) and one longer (2.93 Å) Sm–Ir bond lengths. In the second Sm site, Sm is bonded in a 2-coordinate geometry to two equivalent Ir atoms. There are one shorter (2.90 Å) and one longer (2.93 Å) Sm–Ir bond lengths. Ir is bonded in a 6-coordinate geometry to six Sm atoms.

Authors:: The Materials Project

Publication Date:: Tue May 09 00:00:00 EDT 2017

Other Number(s):: mp-7342

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; Sm3Ir; Ir-Sm

OSTI Identifier:: 1287743

DOI:: https://doi.org/10.17188/1287743

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                    The Materials Project. Materials Data on Sm3Ir by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1287743.

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                    The Materials Project. Materials Data on Sm3Ir by Materials Project.  United States.  doi:https://doi.org/10.17188/1287743

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                    The Materials Project. 2017.  
"Materials Data on Sm3Ir by Materials Project".  United States.  doi:https://doi.org/10.17188/1287743.  https://www.osti.gov/servlets/purl/1287743. Pub date:Tue May 09 00:00:00 EDT 2017

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@article{osti_1287743,

  title        = {Materials Data on Sm3Ir by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sm3Ir is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Sm3Ir sheets oriented in the (0, 0, 1) direction. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a distorted bent 150 degrees geometry to two equivalent Ir atoms. There are one shorter (2.84 Å) and one longer (2.93 Å) Sm–Ir bond lengths. In the second Sm site, Sm is bonded in a 2-coordinate geometry to two equivalent Ir atoms. There are one shorter (2.90 Å) and one longer (2.93 Å) Sm–Ir bond lengths. Ir is bonded in a 6-coordinate geometry to six Sm atoms.},

  doi          = {10.17188/1287743},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue May 09 00:00:00 EDT 2017},

  month        = {Tue May 09 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1287743

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