Yb2NiAs2 crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 9-coordinate geometry to three equivalent Ni(1), three equivalent As(1), and three equivalent As(2) atoms. In the second Yb site, Yb(2) is bonded in a 9-coordinate geometry to three equivalent Ni(1), three equivalent As(1), and three equivalent As(2) atoms. Ni(1) is bonded in a 10-coordinate geometry to three equivalent Yb(1), three equivalent Yb(2), one As(2), and three equivalent As(1) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to three equivalent Yb(1), three equivalent Yb(2), and three equivalent Ni(1) atoms. In the second As site, As(2) is bonded in a 7-coordinate geometry to three equivalent Yb(1), three equivalent Yb(2), and one Ni(1) atom.
Yb2NiAs2 crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 9-coordinate geometry to three equivalent Ni(1), three equivalent As(1), and three equivalent As(2) atoms. All Yb(1)-Ni(1) bond lengths are 2.89 Å. All Yb(1)-As(1) bond lengths are 3.05 Å. All Yb(1)-As(2) bond lengths are 2.83 Å. In the second Yb site, Yb(2) is bonded in a 9-coordinate geometry to three equivalent Ni(1), three equivalent As(1), and three equivalent As(2) atoms. All Yb(2)-Ni(1) bond lengths are 3.30 Å. All Yb(2)-As(1) bond lengths are 3.10 Å. All Yb(2)-As(2) bond lengths are 2.95 Å. Ni(1) is bonded in a 10-coordinate geometry to three equivalent Yb(1), three equivalent Yb(2), one As(2), and three equivalent As(1) atoms. The Ni(1)-As(2) bond length is 2.77 Å. All Ni(1)-As(1) bond lengths are 2.52 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to three equivalent Yb(1), three equivalent Yb(2), and three equivalent Ni(1) atoms. In the second As site, As(2) is bonded in a 7-coordinate geometry to three equivalent Yb(1), three equivalent Yb(2), and one Ni(1) atom.