Materials Data on Cr21(FeC3)2 by Materials Project
Cr21(FeC3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are three inequivalent Cr sites. In the first Cr site, Cr is bonded in a bent 150 degrees geometry to one Cr and two equivalent C atoms. The Cr–Cr bond length is 2.53 Å. Both Cr–C bond lengths are 2.12 Å. In the second Cr site, Cr is bonded in a 4-coordinate geometry to one Fe and three equivalent C atoms. The Cr–Fe bond length is 2.41 Å. All Cr–C bond lengths are 2.08 Å. In the third Cr site, Cr is bonded in a cuboctahedral geometry to twelve equivalent Cr atoms. Fe is bonded in a distorted tetrahedral geometry to four equivalent Cr atoms. C is bonded in a 8-coordinate geometry to eight Cr atoms.
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