Materials Data on Mg2Cu by Materials Project
Mg2Cu is Khatyrkite-like structured and crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 4-coordinate geometry to four equivalent Cu atoms. There are two shorter (2.72 Å) and two longer (2.74 Å) Mg–Cu bond lengths. In the second Mg site, Mg is bonded in a 4-coordinate geometry to four equivalent Cu atoms. There are two shorter (2.72 Å) and two longer (2.76 Å) Mg–Cu bond lengths. Cu is bonded in a 10-coordinate geometry to eight Mg and two equivalent Cu atoms. Both Cu–Cu bond lengths are 2.61 Å.
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