Materials Data on LaAgSO by Materials Project

Abstract

LaAgSO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La3+ is bonded in a 4-coordinate geometry to four equivalent S2- and four equivalent O2- atoms. All La–S bond lengths are 3.29 Å. All La–O bond lengths are 2.39 Å. Ag1+ is bonded to four equivalent S2- atoms to form distorted AgS4 tetrahedra that share corners with four equivalent AgS4 tetrahedra, corners with twelve equivalent OLa4S4 tetrahedra, edges with two equivalent OLa4S4 tetrahedra, and edges with four equivalent AgS4 tetrahedra. All Ag–S bond lengths are 2.70 Å. S2- is bonded in a 12-coordinate geometry to four equivalent La3+, four equivalent Ag1+, and four equivalent O2- atoms. All S–O bond lengths are 3.46 Å. O2- is bonded to four equivalent La3+ and four equivalent S2- atoms to form OLa4S4 tetrahedra that share corners with twelve equivalent AgS4 tetrahedra, edges with two equivalent AgS4 tetrahedra, edges with four equivalent OLa4S4 tetrahedra, and faces with four equivalent OLa4S4 tetrahedra.