Ba3Si6O12N2 crystallizes in the trigonal P-3 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one N(1), three equivalent O(2), and six equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Si(1) is bonded to one N(1), one O(1), and two equivalent O(2) atoms to form corner-sharing SiNO3 tetrahedra. N(1) is bonded in a distorted trigonal planar geometry to one Ba(1) and three equivalent Si(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ba(1) and two equivalent Si(1) atoms.
Ba3Si6O12N2 crystallizes in the trigonal P-3 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one N(1), three equivalent O(2), and six equivalent O(1) atoms. The Ba(1)-N(1) bond length is 3.04 Å. All Ba(1)-O(2) bond lengths are 3.26 Å. There are three shorter (2.84 Å) and three longer (2.95 Å) Ba(1)-O(1) bond lengths. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. All Ba(2)-O(1) bond lengths are 2.78 Å. Si(1) is bonded to one N(1), one O(1), and two equivalent O(2) atoms to form corner-sharing SiNO3 tetrahedra. The Si(1)-N(1) bond length is 1.75 Å. The Si(1)-O(1) bond length is 1.60 Å. There is one shorter (1.66 Å) and one longer (1.67 Å) Si(1)-O(2) bond length. N(1) is bonded in a distorted trigonal planar geometry to one Ba(1) and three equivalent Si(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ba(1) and two equivalent Si(1) atoms.