Materials Data on MnCr(Ni2Sn)2 by Materials Project

doi:10.17188/1698537

Title: Materials Data on MnCr(Ni2Sn)2 by Materials Project

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Abstract

CrMn(Ni2Sn)2 is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Cr is bonded in a distorted body-centered cubic geometry to eight Ni and six equivalent Sn atoms. There are six shorter (2.63 Å) and two longer (2.64 Å) Cr–Ni bond lengths. All Cr–Sn bond lengths are 3.03 Å. Mn is bonded in a distorted body-centered cubic geometry to eight Ni and six equivalent Sn atoms. There are two shorter (2.62 Å) and six longer (2.63 Å) Mn–Ni bond lengths. All Mn–Sn bond lengths are 3.04 Å. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted body-centered cubic geometry to three equivalent Cr, one Mn, and four equivalent Sn atoms. There are three shorter (2.62 Å) and one longer (2.63 Å) Ni–Sn bond lengths. In the second Ni site, Ni is bonded in a distorted body-centered cubic geometry to one Cr, three equivalent Mn, and four equivalent Sn atoms. The Ni–Cr bond length is 2.64 Å. There are one shorter (2.63 Å) and three longer (2.64 Å) Ni–Sn bond lengths. In the third Ni site, Ni is bonded in a distorted body-centered cubic geometry to one Cr,more »« less

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1221685

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; MnCr(Ni2Sn)2; Cr-Mn-Ni-Sn

OSTI Identifier:: 1698537

DOI:: https://doi.org/10.17188/1698537

Citation Formats


                    The Materials Project. Materials Data on MnCr(Ni2Sn)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1698537.

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                    The Materials Project. Materials Data on MnCr(Ni2Sn)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1698537

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                    The Materials Project. 2020.  
"Materials Data on MnCr(Ni2Sn)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1698537.  https://www.osti.gov/servlets/purl/1698537. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1698537,

  title        = {Materials Data on MnCr(Ni2Sn)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CrMn(Ni2Sn)2 is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Cr is bonded in a distorted body-centered cubic geometry to eight Ni and six equivalent Sn atoms. There are six shorter (2.63 Å) and two longer (2.64 Å) Cr–Ni bond lengths. All Cr–Sn bond lengths are 3.03 Å. Mn is bonded in a distorted body-centered cubic geometry to eight Ni and six equivalent Sn atoms. There are two shorter (2.62 Å) and six longer (2.63 Å) Mn–Ni bond lengths. All Mn–Sn bond lengths are 3.04 Å. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted body-centered cubic geometry to three equivalent Cr, one Mn, and four equivalent Sn atoms. There are three shorter (2.62 Å) and one longer (2.63 Å) Ni–Sn bond lengths. In the second Ni site, Ni is bonded in a distorted body-centered cubic geometry to one Cr, three equivalent Mn, and four equivalent Sn atoms. The Ni–Cr bond length is 2.64 Å. There are one shorter (2.63 Å) and three longer (2.64 Å) Ni–Sn bond lengths. In the third Ni site, Ni is bonded in a distorted body-centered cubic geometry to one Cr, three equivalent Mn, and four equivalent Sn atoms. There are one shorter (2.63 Å) and three longer (2.64 Å) Ni–Sn bond lengths. In the fourth Ni site, Ni is bonded in a distorted body-centered cubic geometry to three equivalent Cr, one Mn, and four equivalent Sn atoms. There are three shorter (2.62 Å) and one longer (2.63 Å) Ni–Sn bond lengths. In the fifth Ni site, Ni is bonded in a distorted body-centered cubic geometry to three equivalent Cr, one Mn, and four equivalent Sn atoms. All Ni–Cr bond lengths are 2.63 Å. The Ni–Mn bond length is 2.62 Å. There are three shorter (2.62 Å) and one longer (2.63 Å) Ni–Sn bond lengths. Sn is bonded in a 8-coordinate geometry to three equivalent Cr, three equivalent Mn, and eight Ni atoms.},

  doi          = {10.17188/1698537},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1698537

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