KFeBr3 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to one Br(3), three equivalent Br(2), and four equivalent Br(1) atoms. Fe(1) is bonded to one Br(1), two equivalent Br(2), and three equivalent Br(3) atoms to form edge-sharing FeBr6 octahedra. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Fe(1) atom. In the second Br site, Br(2) is bonded to three equivalent K(1) and two equivalent Fe(1) atoms to form distorted edge-sharing BrK3Fe2 trigonal bipyramids. In the third Br site, Br(3) is bonded in a distorted rectangular see-saw-like geometry to one K(1) and three equivalent Fe(1) atoms.
KFeBr3 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to one Br(3), three equivalent Br(2), and four equivalent Br(1) atoms. The K(1)-Br(3) bond length is 3.50 Å. There are two shorter (3.48 Å) and one longer (3.51 Å) K(1)-Br(2) bond length. All K(1)-Br(1) bond lengths are 3.42 Å. Fe(1) is bonded to one Br(1), two equivalent Br(2), and three equivalent Br(3) atoms to form edge-sharing FeBr6 octahedra. The Fe(1)-Br(1) bond length is 2.51 Å. Both Fe(1)-Br(2) bond lengths are 2.67 Å. There is one shorter (2.60 Å) and two longer (2.76 Å) Fe(1)-Br(3) bond lengths. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Fe(1) atom. In the second Br site, Br(2) is bonded to three equivalent K(1) and two equivalent Fe(1) atoms to form distorted edge-sharing BrK3Fe2 trigonal bipyramids. In the third Br site, Br(3) is bonded in a distorted rectangular see-saw-like geometry to one K(1) and three equivalent Fe(1) atoms.