Ta3Si crystallizes in the tetragonal P4_2/n space group. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 4-coordinate geometry to four equivalent Si(1) atoms. In the second Ta site, Ta(2) is bonded in a 2-coordinate geometry to two equivalent Si(1) atoms. In the third Ta site, Ta(3) is bonded in a 3-coordinate geometry to three equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to two equivalent Ta(2), three equivalent Ta(3), and four equivalent Ta(1) atoms.
Ta3Si crystallizes in the tetragonal P4_2/n space group. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 4-coordinate geometry to four equivalent Si(1) atoms. There are a spread of Ta(1)-Si(1) bond distances ranging from 2.58-2.70 Å. In the second Ta site, Ta(2) is bonded in a 2-coordinate geometry to two equivalent Si(1) atoms. There is one shorter (2.59 Å) and one longer (2.64 Å) Ta(2)-Si(1) bond length. In the third Ta site, Ta(3) is bonded in a 3-coordinate geometry to three equivalent Si(1) atoms. There are a spread of Ta(3)-Si(1) bond distances ranging from 2.57-2.82 Å. Si(1) is bonded in a 9-coordinate geometry to two equivalent Ta(2), three equivalent Ta(3), and four equivalent Ta(1) atoms.