Ti2MnSi crystallizes in the cubic F-43m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 4-coordinate geometry to four equivalent Ti(2) and four equivalent Si(1) atoms. In the second Ti site, Ti(2) is bonded in a 14-coordinate geometry to four equivalent Ti(1), four equivalent Mn(1), and six equivalent Si(1) atoms. Mn(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ti(2) and four equivalent Si(1) atoms. Si(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ti(1), six equivalent Ti(2), and four equivalent Mn(1) atoms.
Ti2MnSi crystallizes in the cubic F-43m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 4-coordinate geometry to four equivalent Ti(2) and four equivalent Si(1) atoms. All Ti(1)-Ti(2) bond lengths are 2.61 Å. All Ti(1)-Si(1) bond lengths are 2.61 Å. In the second Ti site, Ti(2) is bonded in a 14-coordinate geometry to four equivalent Ti(1), four equivalent Mn(1), and six equivalent Si(1) atoms. All Ti(2)-Mn(1) bond lengths are 2.61 Å. All Ti(2)-Si(1) bond lengths are 3.01 Å. Mn(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ti(2) and four equivalent Si(1) atoms. All Mn(1)-Si(1) bond lengths are 2.61 Å. Si(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ti(1), six equivalent Ti(2), and four equivalent Mn(1) atoms.