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DOE OSTI2020

Materials Data on MnCo2Sn by Materials Project

Co2MnSn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a distorted body-centered cubic geometry to eight equivalent Co and six equivalent Sn atoms. All Mn–Co bond lengths are 2.59 Å. All Mn–Sn bond lengths are 3.00 Å. Co is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Sn atoms. All Co–Sn bond lengths are 2.59 Å. Sn is bonded in a distorted body-centered cubic geometry to six equivalent Mn and eight equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn2CoSn by Materials Project

Mn2CoSn crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to four equivalent Mn and four equivalent Sn atoms to form distorted edge-sharing MnMn4Sn4 tetrahedra. All Mn–Mn bond lengths are 2.66 Å. All Mn–Sn bond lengths are 2.66 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to four equivalent Mn, four equivalent Co, and six equivalent Sn atoms. All Mn–Co bond lengths are 2.66 Å. All Mn–Sn bond lengths are 3.07 Å. Co is bonded in a distorted body-centered cubic geometry to four equivalent Mn and four equivalent Sn atoms. All Co–Sn bond lengths are 2.66 Å. Sn is bonded in a distorted body-centered cubic geometry to ten Mn and four equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnCoSn by Materials Project

CoMnSn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn is bonded in a 5-coordinate geometry to six equivalent Co and five equivalent Sn atoms. All Mn–Co bond lengths are 2.83 Å. There are three shorter (2.52 Å) and two longer (2.58 Å) Mn–Sn bond lengths. Co is bonded in a 8-coordinate geometry to six equivalent Mn, two equivalent Co, and six equivalent Sn atoms. Both Co–Co bond lengths are 2.58 Å. All Co–Sn bond lengths are 2.83 Å. Sn is bonded to five equivalent Mn and six equivalent Co atoms to form a mixture of distorted face and corner-sharing SnMn5Co6 trigonal bipyramids.

36 MATERIALS SCIENCE↗