CsCoFeF6 crystallizes in the orthorhombic Imma space group. Cs(1) is bonded to one F(1), one F(2), and four equivalent F(3) atoms to form CsF6 octahedra that share corners with six equivalent Fe(1)F6 octahedra and corners with six equivalent Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 67-69°. Fe(1) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form FeF6 octahedra that share corners with two equivalent Fe(1)F6 octahedra, corners with four equivalent Co(1)F6 octahedra, and corners with six equivalent Cs(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 41-69°. Co(1) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form CoF6 octahedra that share corners with two equivalent Co(1)F6 octahedra, corners with four equivalent Fe(1)F6 octahedra, and corners with six equivalent Cs(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-69°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1) and two equivalent Fe(1) atoms. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Cs(1) and two equivalent Co(1) atoms. In the third F site, F(3) is bonded in a 2-coordinate geometry to one Cs(1), one Fe(1), and one Co(1) atom.
CsCoFeF6 crystallizes in the orthorhombic Imma space group. Cs(1) is bonded to one F(1), one F(2), and four equivalent F(3) atoms to form CsF6 octahedra that share corners with six equivalent Fe(1)F6 octahedra and corners with six equivalent Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 67-69°. The Cs(1)-F(1) bond length is 3.28 Å. The Cs(1)-F(2) bond length is 3.18 Å. All Cs(1)-F(3) bond lengths are 3.22 Å. Fe(1) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form FeF6 octahedra that share corners with two equivalent Fe(1)F6 octahedra, corners with four equivalent Co(1)F6 octahedra, and corners with six equivalent Cs(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 41-69°. Both Fe(1)-F(1) bond lengths are 2.01 Å. All Fe(1)-F(3) bond lengths are 1.94 Å. Co(1) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form CoF6 octahedra that share corners with two equivalent Co(1)F6 octahedra, corners with four equivalent Fe(1)F6 octahedra, and corners with six equivalent Cs(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-69°. Both Co(1)-F(2) bond lengths are 2.00 Å. All Co(1)-F(3) bond lengths are 2.08 Å. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1) and two equivalent Fe(1) atoms. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Cs(1) and two equivalent Co(1) atoms. In the third F site, F(3) is bonded in a 2-coordinate geometry to one Cs(1), one Fe(1), and one Co(1) atom.