Lu2Mo3Si4 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. Lu(1) is bonded in a 7-coordinate geometry to one Si(2), two equivalent Si(3), and four equivalent Si(1) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(2) is bonded in a 6-coordinate geometry to two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. In the second Mo site, Mo(1) is bonded in a 6-coordinate geometry to one Si(3), two equivalent Si(2), and three equivalent Si(1) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to four equivalent Lu(1), one Mo(2), three equivalent Mo(1), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Lu(1), two equivalent Mo(2), four equivalent Mo(1), and one Si(3) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to four equivalent Lu(1), two equivalent Mo(1), two equivalent Mo(2), and one Si(2) atom.
Lu2Mo3Si4 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. Lu(1) is bonded in a 7-coordinate geometry to one Si(2), two equivalent Si(3), and four equivalent Si(1) atoms. The Lu(1)-Si(2) bond length is 2.89 Å. There is one shorter (2.78 Å) and one longer (2.84 Å) Lu(1)-Si(3) bond length. There are a spread of Lu(1)-Si(1) bond distances ranging from 2.77-3.01 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(2) is bonded in a 6-coordinate geometry to two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. Both Mo(2)-Si(1) bond lengths are 2.64 Å. There is one shorter (2.63 Å) and one longer (2.73 Å) Mo(2)-Si(2) bond length. There is one shorter (2.60 Å) and one longer (2.67 Å) Mo(2)-Si(3) bond length. In the second Mo site, Mo(1) is bonded in a 6-coordinate geometry to one Si(3), two equivalent Si(2), and three equivalent Si(1) atoms. The Mo(1)-Si(3) bond length is 2.63 Å. There is one shorter (2.54 Å) and one longer (2.57 Å) Mo(1)-Si(2) bond length. There are a spread of Mo(1)-Si(1) bond distances ranging from 2.53-2.62 Å. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to four equivalent Lu(1), one Mo(2), three equivalent Mo(1), and one Si(1) atom. The Si(1)-Si(1) bond length is 2.53 Å. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Lu(1), two equivalent Mo(2), four equivalent Mo(1), and one Si(3) atom. The Si(2)-Si(3) bond length is 2.55 Å. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to four equivalent Lu(1), two equivalent Mo(1), two equivalent Mo(2), and one Si(2) atom.