BaCuSeF is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. Ba(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) and four equivalent F(1) atoms. Cu(1) is bonded to four equivalent Se(1) atoms to form a mixture of edge and corner-sharing CuSe4 tetrahedra. Se(1) is bonded in a 8-coordinate geometry to four equivalent Ba(1) and four equivalent Cu(1) atoms. F(1) is bonded to four equivalent Ba(1) atoms to form a mixture of edge and corner-sharing FBa4 tetrahedra.
BaCuSeF is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. Ba(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) and four equivalent F(1) atoms. All Ba(1)-Se(1) bond lengths are 3.43 Å. All Ba(1)-F(1) bond lengths are 2.66 Å. Cu(1) is bonded to four equivalent Se(1) atoms to form a mixture of edge and corner-sharing CuSe4 tetrahedra. All Cu(1)-Se(1) bond lengths are 2.55 Å. Se(1) is bonded in a 8-coordinate geometry to four equivalent Ba(1) and four equivalent Cu(1) atoms. F(1) is bonded to four equivalent Ba(1) atoms to form a mixture of edge and corner-sharing FBa4 tetrahedra.