TaMoSi4 is Titanium Disilicide-derived structured and crystallizes in the monoclinic P2 space group. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 10-coordinate geometry to two equivalent Si(2), two equivalent Si(6), and six equivalent Si(4) atoms. In the second Ta site, Ta(2) is bonded in a 10-coordinate geometry to two equivalent Si(2), two equivalent Si(3), and six equivalent Si(5) atoms. In the third Ta site, Ta(3) is bonded in a 10-coordinate geometry to two equivalent Si(1), two equivalent Si(4), and six equivalent Si(6) atoms. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 10-coordinate geometry to two equivalent Si(3), two equivalent Si(6), and six equivalent Si(1) atoms. In the second Mo site, Mo(2) is bonded in a 10-coordinate geometry to two equivalent Si(4), two equivalent Si(5), and six equivalent Si(2) atoms. In the third Mo site, Mo(3) is bonded in a 10-coordinate geometry to two equivalent Si(1), two equivalent Si(5), and six equivalent Si(3) atoms. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to one Ta(3), one Mo(3), three equivalent Mo(1), one Si(3), one Si(6), and three equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to one Ta(1), one Ta(2), three equivalent Mo(2), one Si(4), one Si(5), and three equivalent Si(2) atoms. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to one Ta(2), one Mo(1), three equivalent Mo(3), one Si(1), one Si(5), and three equivalent Si(3) atoms. In the fourth Si site, Si(4) is bonded in a 10-coordinate geometry to one Ta(3), three equivalent Ta(1), one Mo(2), one Si(2), one Si(6), and three equivalent Si(4) atoms. In the fifth Si site, Si(5) is bonded in a 10-coordinate geometry to three equivalent Ta(2), one Mo(2), one Mo(3), one Si(2), one Si(3), and three equivalent Si(5) atoms. In the sixth Si site, Si(6) is bonded in a 10-coordinate geometry to one Ta(1), three equivalent Ta(3), one Mo(1), one Si(1), one Si(4), and three equivalent Si(6) atoms.
TaMoSi4 is Titanium Disilicide-derived structured and crystallizes in the monoclinic P2 space group. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 10-coordinate geometry to two equivalent Si(2), two equivalent Si(6), and six equivalent Si(4) atoms. Both Ta(1)-Si(2) bond lengths are 2.60 Å. Both Ta(1)-Si(6) bond lengths are 2.61 Å. There are four shorter (2.71 Å) and two longer (2.78 Å) Ta(1)-Si(4) bond lengths. In the second Ta site, Ta(2) is bonded in a 10-coordinate geometry to two equivalent Si(2), two equivalent Si(3), and six equivalent Si(5) atoms. Both Ta(2)-Si(2) bond lengths are 2.59 Å. Both Ta(2)-Si(3) bond lengths are 2.61 Å. There are a spread of Ta(2)-Si(5) bond distances ranging from 2.71-2.76 Å. In the third Ta site, Ta(3) is bonded in a 10-coordinate geometry to two equivalent Si(1), two equivalent Si(4), and six equivalent Si(6) atoms. Both Ta(3)-Si(1) bond lengths are 2.61 Å. Both Ta(3)-Si(4) bond lengths are 2.61 Å. There are a spread of Ta(3)-Si(6) bond distances ranging from 2.70-2.78 Å. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 10-coordinate geometry to two equivalent Si(3), two equivalent Si(6), and six equivalent Si(1) atoms. Both Mo(1)-Si(3) bond lengths are 2.57 Å. Both Mo(1)-Si(6) bond lengths are 2.58 Å. There are a spread of Mo(1)-Si(1) bond distances ranging from 2.69-2.78 Å. In the second Mo site, Mo(2) is bonded in a 10-coordinate geometry to two equivalent Si(4), two equivalent Si(5), and six equivalent Si(2) atoms. Both Mo(2)-Si(4) bond lengths are 2.57 Å. Both Mo(2)-Si(5) bond lengths are 2.59 Å. There are a spread of Mo(2)-Si(2) bond distances ranging from 2.69-2.80 Å. In the third Mo site, Mo(3) is bonded in a 10-coordinate geometry to two equivalent Si(1), two equivalent Si(5), and six equivalent Si(3) atoms. Both Mo(3)-Si(1) bond lengths are 2.56 Å. Both Mo(3)-Si(5) bond lengths are 2.59 Å. There are a spread of Mo(3)-Si(3) bond distances ranging from 2.71-2.77 Å. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to one Ta(3), one Mo(3), three equivalent Mo(1), one Si(3), one Si(6), and three equivalent Si(1) atoms. The Si(1)-Si(3) bond length is 2.55 Å. The Si(1)-Si(6) bond length is 2.55 Å. There are a spread of Si(1)-Si(1) bond distances ranging from 2.66-2.81 Å. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to one Ta(1), one Ta(2), three equivalent Mo(2), one Si(4), one Si(5), and three equivalent Si(2) atoms. The Si(2)-Si(4) bond length is 2.54 Å. The Si(2)-Si(5) bond length is 2.56 Å. There are a spread of Si(2)-Si(2) bond distances ranging from 2.63-2.79 Å. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to one Ta(2), one Mo(1), three equivalent Mo(3), one Si(1), one Si(5), and three equivalent Si(3) atoms. The Si(3)-Si(5) bond length is 2.57 Å. There are a spread of Si(3)-Si(3) bond distances ranging from 2.65-2.80 Å. In the fourth Si site, Si(4) is bonded in a 10-coordinate geometry to one Ta(3), three equivalent Ta(1), one Mo(2), one Si(2), one Si(6), and three equivalent Si(4) atoms. The Si(4)-Si(6) bond length is 2.57 Å. There are a spread of Si(4)-Si(4) bond distances ranging from 2.62-2.81 Å. In the fifth Si site, Si(5) is bonded in a 10-coordinate geometry to three equivalent Ta(2), one Mo(2), one Mo(3), one Si(2), one Si(3), and three equivalent Si(5) atoms. There are a spread of Si(5)-Si(5) bond distances ranging from 2.65-2.78 Å. In the sixth Si site, Si(6) is bonded in a 10-coordinate geometry to one Ta(1), three equivalent Ta(3), one Mo(1), one Si(1), one Si(4), and three equivalent Si(6) atoms. There are a spread of Si(6)-Si(6) bond distances ranging from 2.62-2.83 Å.