Ba3InB3O9 crystallizes in the trigonal R-3 space group. Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(1), three equivalent O(3), and four equivalent O(2) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in an octahedral geometry to six equivalent O(3) atoms. In the second In site, In(2) is bonded in an octahedral geometry to six equivalent O(1) atoms. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to two equivalent Ba(1), one In(2), and one B(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to four equivalent Ba(1) and one B(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to three equivalent Ba(1), one In(1), and one B(1) atom.
Ba3InB3O9 crystallizes in the trigonal R-3 space group. Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(1), three equivalent O(3), and four equivalent O(2) atoms. There is one shorter (2.73 Å) and one longer (2.88 Å) Ba(1)-O(1) bond length. There are a spread of Ba(1)-O(3) bond distances ranging from 2.85-2.95 Å. There are a spread of Ba(1)-O(2) bond distances ranging from 2.70-2.93 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in an octahedral geometry to six equivalent O(3) atoms. All In(1)-O(3) bond lengths are 2.16 Å. In the second In site, In(2) is bonded in an octahedral geometry to six equivalent O(1) atoms. All In(2)-O(1) bond lengths are 2.21 Å. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The B(1)-O(1) bond length is 1.40 Å. The B(1)-O(2) bond length is 1.37 Å. The B(1)-O(3) bond length is 1.39 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to two equivalent Ba(1), one In(2), and one B(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to four equivalent Ba(1) and one B(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to three equivalent Ba(1), one In(1), and one B(1) atom.