Ti2MoSi6 is Titanium Disilicide-derived structured and crystallizes in the orthorhombic C222 space group. Ti(1) is bonded in a 10-coordinate geometry to two equivalent Si(1) and eight equivalent Si(2) atoms. Mo(1) is bonded in a 10-coordinate geometry to four equivalent Si(2) and six equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to two equivalent Ti(1), three equivalent Mo(1), two equivalent Si(2), and three equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to four equivalent Ti(1), one Mo(1), one Si(1), and four equivalent Si(2) atoms.
Ti2MoSi6 is Titanium Disilicide-derived structured and crystallizes in the orthorhombic C222 space group. Ti(1) is bonded in a 10-coordinate geometry to two equivalent Si(1) and eight equivalent Si(2) atoms. Both Ti(1)-Si(1) bond lengths are 2.56 Å. There are a spread of Ti(1)-Si(2) bond distances ranging from 2.57-2.78 Å. Mo(1) is bonded in a 10-coordinate geometry to four equivalent Si(2) and six equivalent Si(1) atoms. All Mo(1)-Si(2) bond lengths are 2.57 Å. There are four shorter (2.70 Å) and two longer (2.72 Å) Mo(1)-Si(1) bond lengths. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to two equivalent Ti(1), three equivalent Mo(1), two equivalent Si(2), and three equivalent Si(1) atoms. Both Si(1)-Si(2) bond lengths are 2.52 Å. There is one shorter (2.69 Å) and two longer (2.71 Å) Si(1)-Si(1) bond lengths. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to four equivalent Ti(1), one Mo(1), one Si(1), and four equivalent Si(2) atoms. There are a spread of Si(2)-Si(2) bond distances ranging from 2.53-2.79 Å.