KBa(FeAs)4 crystallizes in the orthorhombic Cmmm space group. K(1) is bonded in a body-centered cubic geometry to eight equivalent As(1,2) atoms. Ba(1) is bonded in a body-centered cubic geometry to eight equivalent As(1,2) atoms. Fe(1) is bonded to four equivalent As(1,2) atoms to form a mixture of corner and edge-sharing FeAs4 tetrahedra. As(1,2) is bonded in a 8-coordinate geometry to two equivalent K(1), two equivalent Ba(1), and four equivalent Fe(1) atoms.
KBa(FeAs)4 crystallizes in the orthorhombic Cmmm space group. K(1) is bonded in a body-centered cubic geometry to eight equivalent As(1,2) atoms. All K(1)-As(1,2) bond lengths are 3.41 Å. Ba(1) is bonded in a body-centered cubic geometry to eight equivalent As(1,2) atoms. All Ba(1)-As(1,2) bond lengths are 3.41 Å. Fe(1) is bonded to four equivalent As(1,2) atoms to form a mixture of corner and edge-sharing FeAs4 tetrahedra. All Fe(1)-As(1,2) bond lengths are 2.31 Å. As(1,2) is bonded in a 8-coordinate geometry to two equivalent K(1), two equivalent Ba(1), and four equivalent Fe(1) atoms.