Materials Data on Hf2VSi2 by Materials Project
Hf2VSi2 crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one Hf2VSi2 sheet oriented in the (0, 0, 1) direction. Hf is bonded in a distorted single-bond geometry to one Si atom. The Hf–Si bond length is 2.61 Å. V is bonded to four equivalent V and two equivalent Si atoms to form a mixture of distorted edge and corner-sharing VV4Si2 octahedra. The corner-sharing octahedral tilt angles are 0°. All V–V bond lengths are 2.75 Å. Both V–Si bond lengths are 2.45 Å. Si is bonded in a distorted linear geometry to one Hf and one V atom.
36 MATERIALS SCIENCE↗