Materials Data on ThAgPO by Materials Project

Abstract

ThAgPO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Th4+ is bonded in a 4-coordinate geometry to four equivalent P3- and four equivalent O2- atoms. All Th–P bond lengths are 3.09 Å. All Th–O bond lengths are 2.41 Å. Ag1+ is bonded in a 4-coordinate geometry to four equivalent Ag1+ and four equivalent P3- atoms. All Ag–Ag bond lengths are 2.82 Å. All Ag–P bond lengths are 2.68 Å. P3- is bonded in a 8-coordinate geometry to four equivalent Th4+ and four equivalent Ag1+ atoms. O2- is bonded to four equivalent Th4+ atoms to form a mixture of edge and corner-sharing OTh4 tetrahedra.