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DOE OSTI2020

Materials Data on TiCu2Sn by Materials Project

Cu2SnTi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a distorted body-centered cubic geometry to eight equivalent Cu and six equivalent Sn atoms. All Ti–Cu bond lengths are 2.72 Å. All Ti–Sn bond lengths are 3.14 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Sn atoms. All Cu–Sn bond lengths are 2.72 Å. Sn is bonded in a 8-coordinate geometry to six equivalent Ti and eight equivalent Cu atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on TiCu2Sn by Materials Project

Cu2SnTi crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ti is bonded in a 10-coordinate geometry to eight equivalent Cu and two equivalent Sn atoms. All Ti–Cu bond lengths are 2.68 Å. Both Ti–Sn bond lengths are 2.93 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Ti, one Cu, and four equivalent Sn atoms. The Cu–Cu bond length is 2.55 Å. All Cu–Sn bond lengths are 2.88 Å. Sn is bonded in a distorted q6 geometry to two equivalent Ti and eight equivalent Cu atoms.

36 MATERIALS SCIENCE↗