Mn3Si crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to four equivalent Mn(2) and four equivalent Si(1) atoms. In the second Mn site, Mn(2) is bonded in a 14-coordinate geometry to four equivalent Mn(2), eight equivalent Mn(1), and two equivalent Si(1) atoms. Si(1) is bonded in a body-centered cubic geometry to two equivalent Mn(2) and eight equivalent Mn(1) atoms.
Mn3Si crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to four equivalent Mn(2) and four equivalent Si(1) atoms. All Mn(1)-Mn(2) bond lengths are 2.44 Å. All Mn(1)-Si(1) bond lengths are 2.42 Å. In the second Mn site, Mn(2) is bonded in a 14-coordinate geometry to four equivalent Mn(2), eight equivalent Mn(1), and two equivalent Si(1) atoms. All Mn(2)-Mn(2) bond lengths are 2.79 Å. Both Mn(2)-Si(1) bond lengths are 2.84 Å. Si(1) is bonded in a body-centered cubic geometry to two equivalent Mn(2) and eight equivalent Mn(1) atoms.