Materials Data on Yb(Al2Mo)2 by Materials Project

Abstract

YbMo2Al4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb is bonded in a 4-coordinate geometry to twelve Al atoms. There are four shorter (2.91 Å) and eight longer (3.26 Å) Yb–Al bond lengths. Mo is bonded in a 10-coordinate geometry to two equivalent Mo and eight Al atoms. Both Mo–Mo bond lengths are 2.67 Å. All Mo–Al bond lengths are 2.79 Å. There are six inequivalent Al sites. In the first Al site, Al is bonded in a 11-coordinate geometry to three equivalent Yb, four equivalent Mo, and four Al atoms. There are two shorter (2.65 Å) and two longer (2.87 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 11-coordinate geometry to three equivalent Yb, four equivalent Mo, and four Al atoms. There are one shorter (2.65 Å) and two longer (2.87 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 11-coordinate geometry to three equivalent Yb, four equivalent Mo, and four Al atoms. There are one shorter (2.65 Å) and two longer (2.87 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a 11-coordinate geometry to three equivalent Yb, four equivalent Mo, and four Al atoms. There are two shorter (2.65 Å) and two longer (2.87 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded in a 11-coordinate geometry to three equivalent Yb, four equivalent Mo, and four Al atoms. The Al–Al bond length is 2.65 Å. In the sixth Al site, Al is bonded in a 11-coordinate geometry to three equivalent Yb, four equivalent Mo, and four Al atoms.