Materials Data on Sm(Mn2Ni)4 by Materials Project

doi:10.17188/1677393

Title: Materials Data on Sm(Mn2Ni)4 by Materials Project

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Abstract

Sm(Mn2Ni)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded in a 4-coordinate geometry to sixteen Mn and four equivalent Ni atoms. There are eight shorter (3.13 Å) and eight longer (3.21 Å) Sm–Mn bond lengths. All Sm–Ni bond lengths are 2.95 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to two equivalent Sm, six Mn, and four equivalent Ni atoms to form a mixture of distorted face, edge, and corner-sharing MnSm2Mn6Ni4 cuboctahedra. There are two shorter (2.41 Å) and four longer (2.43 Å) Mn–Mn bond lengths. All Mn–Ni bond lengths are 2.57 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Sm, six Mn, and four equivalent Ni atoms. Both Mn–Mn bond lengths are 2.83 Å. There are two shorter (2.55 Å) and two longer (2.59 Å) Mn–Ni bond lengths. Ni is bonded in a 10-coordinate geometry to one Sm, eight Mn, and one Ni atom. The Ni–Ni bond length is 2.52 Å.

Authors:: The Materials Project

Publication Date:: 2019-04-01

Other Number(s):: mp-1103904

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(Mn2Ni)4; Mn-Ni-Sm

OSTI Identifier:: 1677393

DOI:: https://doi.org/10.17188/1677393

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                    The Materials Project. Materials Data on Sm(Mn2Ni)4 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1677393.

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                    The Materials Project. Materials Data on Sm(Mn2Ni)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1677393

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                    The Materials Project. 2019.  
"Materials Data on Sm(Mn2Ni)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1677393.  https://www.osti.gov/servlets/purl/1677393. Pub date:Mon Apr 01 00:00:00 EDT 2019

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@article{osti_1677393,

  title        = {Materials Data on Sm(Mn2Ni)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sm(Mn2Ni)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded in a 4-coordinate geometry to sixteen Mn and four equivalent Ni atoms. There are eight shorter (3.13 Å) and eight longer (3.21 Å) Sm–Mn bond lengths. All Sm–Ni bond lengths are 2.95 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to two equivalent Sm, six Mn, and four equivalent Ni atoms to form a mixture of distorted face, edge, and corner-sharing MnSm2Mn6Ni4 cuboctahedra. There are two shorter (2.41 Å) and four longer (2.43 Å) Mn–Mn bond lengths. All Mn–Ni bond lengths are 2.57 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Sm, six Mn, and four equivalent Ni atoms. Both Mn–Mn bond lengths are 2.83 Å. There are two shorter (2.55 Å) and two longer (2.59 Å) Mn–Ni bond lengths. Ni is bonded in a 10-coordinate geometry to one Sm, eight Mn, and one Ni atom. The Ni–Ni bond length is 2.52 Å.},

  doi          = {10.17188/1677393},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1677393

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