Materials Data on Sm3Ni by Materials Project

doi:10.17188/1696177

Title: Materials Data on Sm3Ni by Materials Project

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Abstract

Sm3Ni is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Sm3Ni 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 L-shaped geometry to two equivalent Ni atoms. There are one shorter (2.79 Å) and one longer (2.86 Å) Sm–Ni bond lengths. In the second Sm site, Sm is bonded in a distorted bent 150 degrees geometry to two equivalent Ni atoms. There are one shorter (2.79 Å) and one longer (2.90 Å) Sm–Ni bond lengths. Ni is bonded in a 6-coordinate geometry to six Sm atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1105945

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; Sm3Ni; Ni-Sm

OSTI Identifier:: 1696177

DOI:: https://doi.org/10.17188/1696177

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                    The Materials Project. Materials Data on Sm3Ni by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1696177.

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                    The Materials Project. Materials Data on Sm3Ni by Materials Project.  United States.  doi:https://doi.org/10.17188/1696177

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                    The Materials Project. 2020.  
"Materials Data on Sm3Ni by Materials Project".  United States.  doi:https://doi.org/10.17188/1696177.  https://www.osti.gov/servlets/purl/1696177. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1696177,

  title        = {Materials Data on Sm3Ni by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sm3Ni is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Sm3Ni 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 L-shaped geometry to two equivalent Ni atoms. There are one shorter (2.79 Å) and one longer (2.86 Å) Sm–Ni bond lengths. In the second Sm site, Sm is bonded in a distorted bent 150 degrees geometry to two equivalent Ni atoms. There are one shorter (2.79 Å) and one longer (2.90 Å) Sm–Ni bond lengths. Ni is bonded in a 6-coordinate geometry to six Sm atoms.},

  doi          = {10.17188/1696177},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1696177

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