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DOE OSTI2020

Materials Data on MnCu2Sb by Materials Project

MnCu2Sb 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 Cu and six equivalent Sb atoms. All Mn–Cu bond lengths are 2.73 Å. All Mn–Sb bond lengths are 3.15 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Sb atoms. All Cu–Sb bond lengths are 2.73 Å. Sb is bonded in a distorted body-centered cubic geometry to six equivalent Mn and eight equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnCuSb by Materials Project

CuMnSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mn2+ is bonded in a 10-coordinate geometry to four equivalent Cu1+ and six equivalent Sb3- atoms. All Mn–Cu bond lengths are 2.63 Å. All Mn–Sb bond lengths are 3.04 Å. Cu1+ is bonded in a distorted body-centered cubic geometry to four equivalent Mn2+ and four equivalent Sb3- atoms. All Cu–Sb bond lengths are 2.63 Å. Sb3- is bonded in a 10-coordinate geometry to six equivalent Mn2+ and four equivalent Cu1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn2CuSb by Materials Project

Mn2CuSb 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 Sb atoms to form distorted edge-sharing MnMn4Sb4 tetrahedra. All Mn–Mn bond lengths are 2.70 Å. All Mn–Sb bond lengths are 2.70 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to four equivalent Mn, four equivalent Cu, and six equivalent Sb atoms. All Mn–Cu bond lengths are 2.70 Å. All Mn–Sb bond lengths are 3.11 Å. Cu is bonded in a distorted body-centered cubic geometry to four equivalent Mn and four equivalent Sb atoms. All Cu–Sb bond lengths are 2.70 Å. Sb is bonded in a distorted body-centered cubic geometry to ten Mn and four equivalent Cu atoms.

36 MATERIALS SCIENCE↗