CeB3O6 crystallizes in the monoclinic C2/c space group. Ce(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a tetrahedral geometry to two equivalent 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(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 distorted bent 120 degrees geometry to two equivalent Ce(1), one B(1), and one B(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ce(1) and one B(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ce(1), one B(1), and one B(2) atom.
CeB3O6 crystallizes in the monoclinic C2/c space group. Ce(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(2) atoms. Both Ce(1)-O(3) bond lengths are 2.62 Å. There are two shorter (2.64 Å) and two longer (2.86 Å) Ce(1)-O(1) bond lengths. There are two shorter (2.40 Å) and two longer (2.55 Å) Ce(1)-O(2) bond lengths. There are two inequivalent B sites. In the first B site, B(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(3) atoms. Both B(1)-O(1) bond lengths are 1.50 Å. Both B(1)-O(3) bond lengths are 1.46 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The B(2)-O(1) bond length is 1.42 Å. The B(2)-O(2) bond length is 1.34 Å. The B(2)-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 distorted bent 120 degrees geometry to two equivalent Ce(1), one B(1), and one B(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ce(1) and one B(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ce(1), one B(1), and one B(2) atom.