Materials Data on BaAgTeF by Materials Project

BaAgTeF is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ba2+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent F1- atoms. All Ba–Te bond lengths are 3.64 Å. All Ba–F bond lengths are 2.71 Å. Ag1+ is bonded to four equivalent Te2- atoms to form distorted AgTe4 tetrahedra that share corners with four equivalent AgTe4 tetrahedra, corners with twelve equivalent FBa4Te4 tetrahedra, edges with two equivalent FBa4Te4 tetrahedra, and edges with four equivalent AgTe4 tetrahedra. All Ag–Te bond lengths are 2.92 Å. Te2- is bonded in a 12-coordinate geometry to four equivalent Ba2+, four equivalent Ag1+, and four equivalent F1- atoms. All Te–F bond lengths are 3.87 Å. F1- is bonded to four equivalent Ba2+ and four equivalent Te2- atoms to form FBa4Te4 tetrahedra that share corners with twelve equivalent AgTe4 tetrahedra, edges with two equivalent AgTe4 tetrahedra, edges with four equivalent FBa4Te4 tetrahedra, and faces with four equivalent FBa4Te4 tetrahedra.