Ba2VSi2O8 crystallizes in the tetragonal P4bm space group. Ba(1) is bonded in a 10-coordinate geometry to one O(3), two equivalent O(1), three equivalent O(4), and four equivalent O(2) atoms. V(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. Si(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form corner-sharing SiO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to four equivalent Ba(1) and one V(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one V(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1) and two equivalent Si(1) atoms. In the fourth O site, O(4) is bonded to three equivalent Ba(1) and one Si(1) atom to form a mixture of distorted corner and edge-sharing OBa3Si tetrahedra.
Ba2VSi2O8 crystallizes in the tetragonal P4bm space group. Ba(1) is bonded in a 10-coordinate geometry to one O(3), two equivalent O(1), three equivalent O(4), and four equivalent O(2) atoms. The Ba(1)-O(3) bond length is 2.83 Å. Both Ba(1)-O(1) bond lengths are 3.37 Å. There is one shorter (2.67 Å) and two longer (2.82 Å) Ba(1)-O(4) bond lengths. There are two shorter (2.83 Å) and two longer (2.98 Å) Ba(1)-O(2) bond lengths. V(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. The V(1)-O(1) bond length is 1.64 Å. All V(1)-O(2) bond lengths are 1.96 Å. Si(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form corner-sharing SiO4 tetrahedra. The Si(1)-O(3) bond length is 1.67 Å. The Si(1)-O(4) bond length is 1.60 Å. Both Si(1)-O(2) bond lengths are 1.63 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to four equivalent Ba(1) and one V(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one V(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1) and two equivalent Si(1) atoms. In the fourth O site, O(4) is bonded to three equivalent Ba(1) and one Si(1) atom to form a mixture of distorted corner and edge-sharing OBa3Si tetrahedra.