FeBi(CN)6(O2)2 crystallizes in the orthorhombic Cmcm space group. The structure consists of four tetraoxetane molecules inside a FeBi(CN)6 framework. In the FeBi(CN)6 framework, Fe(1) is bonded in an octahedral geometry to two equivalent C(2) and four equivalent C(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one Fe(1) and one N(1) atom. In the second C site, C(2) is bonded in a linear geometry to one Fe(1) and one N(2) atom. Bi(1) is bonded in a distorted pentagonal pyramidal geometry to two equivalent N(2) and four equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to one C(1) and one Bi(1) atom. In the second N site, N(2) is bonded in a distorted bent 150 degrees geometry to one C(2) and one Bi(1) atom.
FeBi(CN)6(O2)2 crystallizes in the orthorhombic Cmcm space group. The structure consists of four tetraoxetane molecules inside a FeBi(CN)6 framework. In the FeBi(CN)6 framework, Fe(1) is bonded in an octahedral geometry to two equivalent C(2) and four equivalent C(1) atoms. Both Fe(1)-C(2) bond lengths are 2.17 Å. All Fe(1)-C(1) bond lengths are 2.18 Å. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one Fe(1) and one N(1) atom. The C(1)-N(1) bond length is 1.17 Å. In the second C site, C(2) is bonded in a linear geometry to one Fe(1) and one N(2) atom. The C(2)-N(2) bond length is 1.17 Å. Bi(1) is bonded in a distorted pentagonal pyramidal geometry to two equivalent N(2) and four equivalent N(1) atoms. Both Bi(1)-N(2) bond lengths are 2.63 Å. All Bi(1)-N(1) bond lengths are 2.39 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to one C(1) and one Bi(1) atom. In the second N site, N(2) is bonded in a distorted bent 150 degrees geometry to one C(2) and one Bi(1) atom.