YbAl3(BO3)4 crystallizes in the monoclinic C2 space group. Yb(1) is bonded in a 2-coordinate geometry to two equivalent O(2) and two equivalent O(4) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. In the second Al site, Al(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 3-coordinate geometry to one O(3), one O(4), and one O(6) atom. In the second B site, B(2) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(5) atoms. In the third B site, B(3) is bonded in a 3-coordinate geometry to one O(7) and two equivalent O(1) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Al(1), one Al(2), and one B(3) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Yb(1), two equivalent Al(1), and one B(2) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Al(1), one Al(2), and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Yb(1), one Al(2), and one B(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Al(1) and one B(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Al(1) and one B(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Al(1) and one B(3) atom.
YbAl3(BO3)4 crystallizes in the monoclinic C2 space group. Yb(1) is bonded in a 2-coordinate geometry to two equivalent O(2) and two equivalent O(4) atoms. Both Yb(1)-O(2) bond lengths are 2.95 Å. Both Yb(1)-O(4) bond lengths are 2.51 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. The Al(1)-O(1) bond length is 2.54 Å. The Al(1)-O(2) bond length is 2.43 Å. The Al(1)-O(3) bond length is 1.99 Å. The Al(1)-O(5) bond length is 2.44 Å. The Al(1)-O(6) bond length is 1.84 Å. The Al(1)-O(7) bond length is 2.43 Å. In the second Al site, Al(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. Both Al(2)-O(1) bond lengths are 1.99 Å. Both Al(2)-O(3) bond lengths are 2.54 Å. Both Al(2)-O(4) bond lengths are 2.32 Å. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 3-coordinate geometry to one O(3), one O(4), and one O(6) atom. The B(1)-O(3) bond length is 1.39 Å. The B(1)-O(4) bond length is 1.93 Å. The B(1)-O(6) bond length is 1.40 Å. In the second B site, B(2) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(5) atoms. The B(2)-O(2) bond length is 1.97 Å. Both B(2)-O(5) bond lengths are 1.35 Å. In the third B site, B(3) is bonded in a 3-coordinate geometry to one O(7) and two equivalent O(1) atoms. The B(3)-O(7) bond length is 1.96 Å. Both B(3)-O(1) bond lengths are 1.38 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Al(1), one Al(2), and one B(3) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Yb(1), two equivalent Al(1), and one B(2) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Al(1), one Al(2), and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Yb(1), one Al(2), and one B(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Al(1) and one B(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Al(1) and one B(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Al(1) and one B(3) atom.