BaZnSiO4 crystallizes in the hexagonal P6_3 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a distorted q6 geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. In the third Ba site, Ba(3) is bonded in a distorted q6 geometry to three equivalent O(1) and six equivalent O(4) atoms. Zn(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form ZnO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with four equivalent Zn(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(3), one Zn(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one Zn(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Zn(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Ba(3), one Zn(1), and one Si(1) atom.
BaZnSiO4 crystallizes in the hexagonal P6_3 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. All Ba(1)-O(2) bond lengths are 2.77 Å. All Ba(1)-O(3) bond lengths are 2.77 Å. In the second Ba site, Ba(2) is bonded in a distorted q6 geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. All Ba(2)-O(1) bond lengths are 2.75 Å. All Ba(2)-O(2) bond lengths are 3.03 Å. All Ba(2)-O(3) bond lengths are 3.07 Å. In the third Ba site, Ba(3) is bonded in a distorted q6 geometry to three equivalent O(1) and six equivalent O(4) atoms. All Ba(3)-O(1) bond lengths are 2.98 Å. There are three shorter (2.77 Å) and three longer (3.05 Å) Ba(3)-O(4) bond lengths. Zn(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form ZnO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. The Zn(1)-O(1) bond length is 1.99 Å. The Zn(1)-O(2) bond length is 1.97 Å. The Zn(1)-O(3) bond length is 1.97 Å. The Zn(1)-O(4) bond length is 1.97 Å. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with four equivalent Zn(1)O4 tetrahedra. The Si(1)-O(1) bond length is 1.65 Å. The Si(1)-O(2) bond length is 1.65 Å. The Si(1)-O(3) bond length is 1.65 Å. The Si(1)-O(4) bond length is 1.65 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(3), one Zn(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one Zn(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Zn(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Ba(3), one Zn(1), and one Si(1) atom.