BaClBF4 crystallizes in the orthorhombic Pmn2_1 space group. Ba(1) is bonded in a 11-coordinate geometry to four equivalent Cl(1), one F(3), two equivalent F(1), and four equivalent F(2) atoms. B(1) is bonded in a tetrahedral geometry to one F(1), one F(3), and two equivalent F(2) atoms. Cl(1) is bonded to four equivalent Ba(1) atoms to form a mixture of edge and corner-sharing ClBa4 tetrahedra. There are three inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to two equivalent Ba(1) and one B(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to two equivalent Ba(1) and one B(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Ba(1) and one B(1) atom.
BaClBF4 crystallizes in the orthorhombic Pmn2_1 space group. Ba(1) is bonded in a 11-coordinate geometry to four equivalent Cl(1), one F(3), two equivalent F(1), and four equivalent F(2) atoms. There are three shorter (3.17 Å) and one longer (3.22 Å) Ba(1)-Cl(1) bond length. The Ba(1)-F(3) bond length is 2.77 Å. Both Ba(1)-F(1) bond lengths are 3.11 Å. There are two shorter (2.93 Å) and two longer (3.01 Å) Ba(1)-F(2) bond lengths. B(1) is bonded in a tetrahedral geometry to one F(1), one F(3), and two equivalent F(2) atoms. The B(1)-F(1) bond length is 1.41 Å. The B(1)-F(3) bond length is 1.40 Å. Both B(1)-F(2) bond lengths are 1.43 Å. Cl(1) is bonded to four equivalent Ba(1) atoms to form a mixture of edge and corner-sharing ClBa4 tetrahedra. There are three inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to two equivalent Ba(1) and one B(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to two equivalent Ba(1) and one B(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Ba(1) and one B(1) atom.