Materials Data on AlCr3B4 by Materials Project

Kristin Persson
Cr3AlB4 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are two inequivalent Cr3+ sites. In the first Cr3+ site, Cr3+ is bonded in a 6-coordinate geometry to six B3- atoms. There are two shorter (2.13 Å) and four longer (2.17 Å) Cr–B bond lengths. In the second Cr3+ site, Cr3+ is bonded to twelve B3- atoms to form a mixture of edge and face-sharing CrB12 cuboctahedra. There are eight shorter (2.26...
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