YbYAl6(BO3)8 is Calcite-derived structured and crystallizes in the trigonal R32 space group. Yb(1) is bonded in a 6-coordinate geometry to six equivalent O(3) atoms. Y(1) is bonded in a 6-coordinate geometry to six equivalent O(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form edge-sharing AlO6 octahedra. In the second Al site, Al(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form edge-sharing AlO6 octahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one B(1) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one B(2) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to one Y(1), one Al(2), and one B(1) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Yb(1), one Al(1), and one B(1) atom.
YbYAl6(BO3)8 is Calcite-derived structured and crystallizes in the trigonal R32 space group. Yb(1) is bonded in a 6-coordinate geometry to six equivalent O(3) atoms. All Yb(1)-O(3) bond lengths are 2.37 Å. Y(1) is bonded in a 6-coordinate geometry to six equivalent O(2) atoms. All Y(1)-O(2) bond lengths are 2.35 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form edge-sharing AlO6 octahedra. Both Al(1)-O(1) bond lengths are 1.95 Å. Both Al(1)-O(3) bond lengths are 1.86 Å. Both Al(1)-O(4) bond lengths are 1.95 Å. In the second Al site, Al(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form edge-sharing AlO6 octahedra. Both Al(2)-O(1) bond lengths are 1.94 Å. Both Al(2)-O(2) bond lengths are 1.88 Å. Both Al(2)-O(4) bond lengths are 1.94 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. The B(1)-O(2) bond length is 1.39 Å. The B(1)-O(3) bond length is 1.36 Å. The B(1)-O(4) bond length is 1.39 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. All B(2)-O(1) bond lengths are 1.38 Å. There are four inequivalent O sites. In the first O site, O(4) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one B(1) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one B(2) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to one Y(1), one Al(2), and one B(1) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Yb(1), one Al(1), and one B(1) atom.