Materials Data on LaCuTeO by Materials Project

Abstract

LaCuOTe 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 Te2- and four equivalent O2- atoms. All La–Te bond lengths are 3.49 Å. All La–O bond lengths are 2.40 Å. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra, corners with twelve equivalent OLa4Te4 tetrahedra, edges with two equivalent OLa4Te4 tetrahedra, and edges with four equivalent CuTe4 tetrahedra. All Cu–Te bond lengths are 2.66 Å. Te2- is bonded in a 12-coordinate geometry to four equivalent La3+, four equivalent Cu1+, and four equivalent O2- atoms. All Te–O bond lengths are 3.69 Å. O2- is bonded to four equivalent La3+ and four equivalent Te2- atoms to form OLa4Te4 tetrahedra that share corners with twelve equivalent CuTe4 tetrahedra, edges with two equivalent CuTe4 tetrahedra, edges with four equivalent OLa4Te4 tetrahedra, and faces with four equivalent OLa4Te4 tetrahedra.