BaTc2Si crystallizes in the cubic F-43m space group. Ba(1) is bonded in a distorted body-centered cubic geometry to four equivalent Tc(2), six equivalent Tc(1), and four equivalent Si(1) atoms. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 14-coordinate geometry to six equivalent Ba(1), four equivalent Tc(2), and four equivalent Si(1) atoms. In the second Tc site, Tc(2) is bonded to four equivalent Ba(1) and four equivalent Tc(1) atoms to form distorted TcBa4Tc4 tetrahedra that share corners with eight equivalent Si(1)Ba4Tc4 tetrahedra, edges with twelve equivalent Tc(2)Ba4Tc4 tetrahedra, and faces with six equivalent Si(1)Ba4Tc4 tetrahedra. Si(1) is bonded to four equivalent Ba(1) and four equivalent Tc(1) atoms to form distorted SiBa4Tc4 tetrahedra that share corners with eight equivalent Tc(2)Ba4Tc4 tetrahedra, edges with twelve equivalent Si(1)Ba4Tc4 tetrahedra, and faces with six equivalent Tc(2)Ba4Tc4 tetrahedra.
BaTc2Si crystallizes in the cubic F-43m space group. Ba(1) is bonded in a distorted body-centered cubic geometry to four equivalent Tc(2), six equivalent Tc(1), and four equivalent Si(1) atoms. All Ba(1)-Tc(2) bond lengths are 2.94 Å. All Ba(1)-Tc(1) bond lengths are 3.39 Å. All Ba(1)-Si(1) bond lengths are 2.94 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 14-coordinate geometry to six equivalent Ba(1), four equivalent Tc(2), and four equivalent Si(1) atoms. All Tc(1)-Tc(2) bond lengths are 2.94 Å. All Tc(1)-Si(1) bond lengths are 2.94 Å. In the second Tc site, Tc(2) is bonded to four equivalent Ba(1) and four equivalent Tc(1) atoms to form distorted TcBa4Tc4 tetrahedra that share corners with eight equivalent Si(1)Ba4Tc4 tetrahedra, edges with twelve equivalent Tc(2)Ba4Tc4 tetrahedra, and faces with six equivalent Si(1)Ba4Tc4 tetrahedra. Si(1) is bonded to four equivalent Ba(1) and four equivalent Tc(1) atoms to form distorted SiBa4Tc4 tetrahedra that share corners with eight equivalent Tc(2)Ba4Tc4 tetrahedra, edges with twelve equivalent Si(1)Ba4Tc4 tetrahedra, and faces with six equivalent Tc(2)Ba4Tc4 tetrahedra.