Materials Data on YCuSb2 by Materials Project
YCuSb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are four shorter (3.18 Å) and four longer (3.28 Å) Y–Sb bond lengths. Cu1+ is bonded to four equivalent Sb2- atoms to form a mixture of edge and corner-sharing CuSb4 tetrahedra. All Cu–Sb bond lengths are 2.68 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Y3+ and four equivalent Sb2- atoms. All Sb–Sb bond lengths are 3.05 Å. In the second Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Y3+ and four equivalent Cu1+ atoms.
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