Materials Data on CrCl2 by Materials Project

Kristin Persson
CrCl2 is zeta iron carbide structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Cr2+ is bonded to six equivalent Cl1- atoms to form a mixture of edge and corner-sharing CrCl6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are four shorter (2.38 Å) and two longer (3.07 Å) Cr–Cl bond lengths. Cl1- is bonded in a 2-coordinate geometry to three equivalent Cr2+ atoms.
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