Materials Data on Zn9Ga3Mo2 by Materials Project

Mo2Zn9Ga3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mo is bonded to nine Zn and three equivalent Ga atoms to form corner-sharing MoZn9Ga3 cuboctahedra. There are six shorter (2.75 Å) and three longer (2.79 Å) Mo–Zn bond lengths. All Mo–Ga bond lengths are 2.65 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to two equivalent Mo and eight Zn atoms. There are four shorter (2.70 Å) and four longer (2.75 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a 10-coordinate geometry to two equivalent Mo, six Zn, and two equivalent Ga atoms. There are two shorter (2.63 Å) and two longer (2.86 Å) Zn–Zn bond lengths. Both Zn–Ga bond lengths are 2.77 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to two equivalent Mo, six Zn, and two equivalent Ga atoms. There are a spread of Zn–Zn bond distances ranging from 2.63–2.86 Å. Both Zn–Ga bond lengths are 2.77 Å. Ga is bonded in a 10-coordinate geometry to two equivalent Mo, four equivalent Zn, and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.75 Å.