Materials Data on SmNi5 by Materials Project

doi:10.17188/1187332

Title: Materials Data on SmNi5 by Materials Project

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Abstract

SmNi5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sm is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are six shorter (2.84 Å) and twelve longer (3.16 Å) Sm–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Sm and six equivalent Ni atoms. All Ni–Ni bond lengths are 2.43 Å. In the second Ni site, Ni is bonded to four equivalent Sm and eight Ni atoms to form a mixture of edge, face, and corner-sharing NiSm4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.46 Å.

Authors:: The Materials Project

Publication Date:: 2017-07-18

Other Number(s):: mp-1075

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; SmNi5; Ni-Sm

OSTI Identifier:: 1187332

DOI:: https://doi.org/10.17188/1187332

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                    The Materials Project. Materials Data on SmNi5 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1187332.

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                    The Materials Project. Materials Data on SmNi5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187332

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                    The Materials Project. 2017.  
"Materials Data on SmNi5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187332.  https://www.osti.gov/servlets/purl/1187332. Pub date:Tue Jul 18 00:00:00 EDT 2017

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@article{osti_1187332,

  title        = {Materials Data on SmNi5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SmNi5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sm is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are six shorter (2.84 Å) and twelve longer (3.16 Å) Sm–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Sm and six equivalent Ni atoms. All Ni–Ni bond lengths are 2.43 Å. In the second Ni site, Ni is bonded to four equivalent Sm and eight Ni atoms to form a mixture of edge, face, and corner-sharing NiSm4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.46 Å.},

  doi          = {10.17188/1187332},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1187332

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