Results for “S-Si-Zr”

Materials Data on ZrSiS by Materials Project

ZrSiS is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of two hydrogen sulfide molecules and one ZrSi sheet oriented in the (0, 0, 1) direction. In the ZrSi sheet, Zr2+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All Zr–Si bond lengths are 2.82 Å. Si4- is bonded to four equivalent Zr2+ and four equivalent Si4- atoms to form a mixture of distorted face, edge, and corner-sharing SiZr4Si4 hexagonal bipyramids. All Si–Si bond lengths are 2.51 Å.