Materials Data on NpCuPO by Materials Project

Abstract

NpCuPO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Np4+ is bonded in a 4-coordinate geometry to four equivalent P3- and four equivalent O2- atoms. All Np–P bond lengths are 2.98 Å. All Np–O bond lengths are 2.29 Å. Cu1+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing CuP4 tetrahedra. All Cu–P bond lengths are 2.37 Å. P3- is bonded in a 8-coordinate geometry to four equivalent Np4+ and four equivalent Cu1+ atoms. O2- is bonded to four equivalent Np4+ atoms to form a mixture of edge and corner-sharing ONp4 tetrahedra.