Materials Data on ZrCuSiP by Materials Project
ZrCuSiP is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to four equivalent Si4- and four equivalent P1- atoms. All Zr–Si bond lengths are 2.82 Å. All Zr–P bond lengths are 2.71 Å. Cu1+ is bonded to four equivalent P1- atoms to form a mixture of distorted corner and edge-sharing CuP4 tetrahedra. All Cu–P bond lengths are 2.43 Å. Si4- is bonded to four equivalent Zr4+ and four equivalent Si4- atoms to form a mixture of distorted corner, edge, and face-sharing SiZr4Si4 hexagonal bipyramids. All Si–Si bond lengths are 2.54 Å. P1- is bonded in a 8-coordinate geometry to four equivalent Zr4+ and four equivalent Cu1+ atoms.