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DOE OSTI2020

Materials Data on TiVW by Materials Project

VWTi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to four equivalent V and four equivalent W atoms. All Ti–V bond lengths are 2.60 Å. All Ti–W bond lengths are 2.60 Å. V is bonded in a distorted q6 geometry to four equivalent Ti and six equivalent W atoms. All V–W bond lengths are 3.01 Å. W is bonded to four equivalent Ti and six equivalent V atoms to form a mixture of distorted face and corner-sharing WTi4V6 tetrahedra.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on TiVW2 by Materials Project

TiVW2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TiVW2 ribbons oriented in the (1, 0, 0) direction. Ti is bonded in a linear geometry to two equivalent W atoms. Both Ti–W bond lengths are 2.30 Å. V is bonded in a linear geometry to two equivalent W atoms. Both V–W bond lengths are 2.16 Å. W is bonded in a linear geometry to one Ti and one V atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on TiV2W by Materials Project

TiV2W crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TiV2W ribbons oriented in the (1, 0, 0) direction. Ti is bonded in a linear geometry to two equivalent V atoms. Both Ti–V bond lengths are 2.14 Å. V is bonded in a linear geometry to one Ti and one W atom. The V–W bond length is 2.29 Å. W is bonded in a linear geometry to two equivalent V atoms.

36 MATERIALS SCIENCE↗