Materials Data on UCuPO by Materials Project

Abstract

UCuPO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U4+ is bonded in a 4-coordinate geometry to four equivalent P3- and four equivalent O2- atoms. All U–P bond lengths are 2.96 Å. All U–O bond lengths are 2.31 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 2.38 Å. P3- is bonded in a 8-coordinate geometry to four equivalent U4+ and four equivalent Cu1+ atoms. O2- is bonded to four equivalent U4+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra.