KBaY(B3O6)2 crystallizes in the trigonal R3 space group. K(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(4) atoms. Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Y(1) is bonded in an octahedral geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(3) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(3) is bonded in a bent 120 degrees geometry to one Ba(1) and two equivalent B(1) atoms. In the second O site, O(4) is bonded in a bent 120 degrees geometry to one K(1) and two equivalent B(2) atoms. In the third O site, O(1) is bonded in a 1-coordinate geometry to one K(1), one Ba(1), one Y(1), and one B(1) atom. In the fourth O site, O(2) is bonded in a 1-coordinate geometry to one K(1), one Ba(1), one Y(1), and one B(2) atom.
KBaY(B3O6)2 crystallizes in the trigonal R3 space group. K(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(4) atoms. All K(1)-O(1) bond lengths are 2.97 Å. All K(1)-O(2) bond lengths are 2.94 Å. All K(1)-O(4) bond lengths are 2.97 Å. Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. All Ba(1)-O(1) bond lengths are 2.91 Å. All Ba(1)-O(2) bond lengths are 2.87 Å. All Ba(1)-O(3) bond lengths are 2.98 Å. Y(1) is bonded in an octahedral geometry to three equivalent O(1) and three equivalent O(2) atoms. All Y(1)-O(1) bond lengths are 2.28 Å. All Y(1)-O(2) bond lengths are 2.29 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(3) atoms. The B(1)-O(1) bond length is 1.33 Å. There is one shorter (1.41 Å) and one longer (1.42 Å) B(1)-O(3) bond length. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(4) atoms. The B(2)-O(2) bond length is 1.33 Å. Both B(2)-O(4) bond lengths are 1.41 Å. There are four inequivalent O sites. In the first O site, O(3) is bonded in a bent 120 degrees geometry to one Ba(1) and two equivalent B(1) atoms. In the second O site, O(4) is bonded in a bent 120 degrees geometry to one K(1) and two equivalent B(2) atoms. In the third O site, O(1) is bonded in a 1-coordinate geometry to one K(1), one Ba(1), one Y(1), and one B(1) atom. In the fourth O site, O(2) is bonded in a 1-coordinate geometry to one K(1), one Ba(1), one Y(1), and one B(2) atom.