Cs2CoBr4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to two equivalent Br(3), three equivalent Br(2), and four equivalent Br(1) atoms. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to one Br(2), three equivalent Br(3), and four equivalent Br(1) atoms. Co(1) is bonded in a tetrahedral geometry to one Br(2), one Br(3), and two equivalent Br(1) atoms. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one Co(1) atom. In the second Br site, Br(2) is bonded in a 1-coordinate geometry to one Cs(2), three equivalent Cs(1), and one Co(1) atom. In the third Br site, Br(3) is bonded in a 1-coordinate geometry to two equivalent Cs(1), three equivalent Cs(2), and one Co(1) atom.
Cs2CoBr4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to two equivalent Br(3), three equivalent Br(2), and four equivalent Br(1) atoms. There is one shorter (3.62 Å) and one longer (3.71 Å) Cs(1)-Br(3) bond length. There is one shorter (3.66 Å) and two longer (3.99 Å) Cs(1)-Br(2) bond lengths. There are two shorter (3.65 Å) and two longer (3.67 Å) Cs(1)-Br(1) bond lengths. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to one Br(2), three equivalent Br(3), and four equivalent Br(1) atoms. The Cs(2)-Br(2) bond length is 3.79 Å. There are two shorter (3.91 Å) and one longer (4.07 Å) Cs(2)-Br(3) bond length. There are two shorter (3.83 Å) and two longer (3.90 Å) Cs(2)-Br(1) bond lengths. Co(1) is bonded in a tetrahedral geometry to one Br(2), one Br(3), and two equivalent Br(1) atoms. The Co(1)-Br(2) bond length is 2.40 Å. The Co(1)-Br(3) bond length is 2.40 Å. Both Co(1)-Br(1) bond lengths are 2.39 Å. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one Co(1) atom. In the second Br site, Br(2) is bonded in a 1-coordinate geometry to one Cs(2), three equivalent Cs(1), and one Co(1) atom. In the third Br site, Br(3) is bonded in a 1-coordinate geometry to two equivalent Cs(1), three equivalent Cs(2), and one Co(1) atom.