CsBrF4 crystallizes in the orthorhombic Immm space group. Cs(1) is bonded in a 12-coordinate geometry to two equivalent F(1), four equivalent F(3), and six equivalent F(2) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a square co-planar geometry to four equivalent F(2) atoms. In the second Br site, Br(2) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Cs(1) and one Br(2) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to three equivalent Cs(1) and one Br(1) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one Br(2) atom.
CsBrF4 crystallizes in the orthorhombic Immm space group. Cs(1) is bonded in a 12-coordinate geometry to two equivalent F(1), four equivalent F(3), and six equivalent F(2) atoms. Both Cs(1)-F(1) bond lengths are 3.07 Å. There are two shorter (3.16 Å) and two longer (3.52 Å) Cs(1)-F(3) bond lengths. There are two shorter (2.98 Å) and four longer (3.31 Å) Cs(1)-F(2) bond lengths. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a square co-planar geometry to four equivalent F(2) atoms. All Br(1)-F(2) bond lengths are 1.92 Å. In the second Br site, Br(2) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(3) atoms. Both Br(2)-F(1) bond lengths are 1.91 Å. Both Br(2)-F(3) bond lengths are 1.93 Å. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Cs(1) and one Br(2) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to three equivalent Cs(1) and one Br(1) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one Br(2) atom.