Hf2Ru3Si4 is Magnesium tetraboride-derived structured and crystallizes in the monoclinic C2/c space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 11-coordinate geometry to one Ru(1), one Ru(2), three equivalent Ru(3), one Si(1), one Si(2), one Si(4), one Si(5), and two equivalent Si(3) atoms. In the second Hf site, Hf(2) is bonded in a 10-coordinate geometry to one Ru(1), one Ru(2), one Si(1), one Si(2), one Si(3), two equivalent Si(4), and three equivalent Si(5) atoms. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 8-coordinate geometry to one Hf(1), one Hf(2), two equivalent Si(3), two equivalent Si(4), and two equivalent Si(5) atoms. In the second Ru site, Ru(2) is bonded in a 6-coordinate geometry to one Hf(1), one Hf(2), one Si(1), one Si(2), one Si(3), one Si(4), and two equivalent Si(5) atoms. In the third Ru site, Ru(3) is bonded in a 5-coordinate geometry to three equivalent Hf(1), one Si(1), one Si(2), one Si(4), and two equivalent Si(3) atoms. There are five inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to two equivalent Hf(1), two equivalent Hf(2), two equivalent Ru(2), and two equivalent Ru(3) atoms. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to two equivalent Hf(1), two equivalent Hf(2), two equivalent Ru(2), and two equivalent Ru(3) atoms. In the third Si site, Si(3) is bonded in a 7-coordinate geometry to one Hf(2), two equivalent Hf(1), one Ru(2), two equivalent Ru(1), two equivalent Ru(3), and one Si(4) atom. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one Hf(1), two equivalent Hf(2), one Ru(2), one Ru(3), two equivalent Ru(1), one Si(3), and one Si(5) atom. In the fifth Si site, Si(5) is bonded in a 9-coordinate geometry to one Hf(1), three equivalent Hf(2), two equivalent Ru(1), two equivalent Ru(2), and one Si(4) atom.
Hf2Ru3Si4 is Magnesium tetraboride-derived structured and crystallizes in the monoclinic C2/c space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 11-coordinate geometry to one Ru(1), one Ru(2), three equivalent Ru(3), one Si(1), one Si(2), one Si(4), one Si(5), and two equivalent Si(3) atoms. The Hf(1)-Ru(1) bond length is 2.90 Å. The Hf(1)-Ru(2) bond length is 3.19 Å. There are a spread of Hf(1)-Ru(3) bond distances ranging from 2.96-3.12 Å. The Hf(1)-Si(1) bond length is 2.79 Å. The Hf(1)-Si(2) bond length is 2.80 Å. The Hf(1)-Si(4) bond length is 2.75 Å. The Hf(1)-Si(5) bond length is 2.81 Å. There is one shorter (2.86 Å) and one longer (3.00 Å) Hf(1)-Si(3) bond length. In the second Hf site, Hf(2) is bonded in a 10-coordinate geometry to one Ru(1), one Ru(2), one Si(1), one Si(2), one Si(3), two equivalent Si(4), and three equivalent Si(5) atoms. The Hf(2)-Ru(1) bond length is 2.88 Å. The Hf(2)-Ru(2) bond length is 3.04 Å. The Hf(2)-Si(1) bond length is 2.88 Å. The Hf(2)-Si(2) bond length is 2.88 Å. The Hf(2)-Si(3) bond length is 2.91 Å. There is one shorter (2.70 Å) and one longer (2.73 Å) Hf(2)-Si(4) bond length. There are a spread of Hf(2)-Si(5) bond distances ranging from 2.87-2.92 Å. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 8-coordinate geometry to one Hf(1), one Hf(2), two equivalent Si(3), two equivalent Si(4), and two equivalent Si(5) atoms. There is one shorter (2.37 Å) and one longer (2.63 Å) Ru(1)-Si(3) bond length. There is one shorter (2.41 Å) and one longer (2.45 Å) Ru(1)-Si(4) bond length. There is one shorter (2.45 Å) and one longer (2.64 Å) Ru(1)-Si(5) bond length. In the second Ru site, Ru(2) is bonded in a 6-coordinate geometry to one Hf(1), one Hf(2), one Si(1), one Si(2), one Si(3), one Si(4), and two equivalent Si(5) atoms. The Ru(2)-Si(1) bond length is 2.44 Å. The Ru(2)-Si(2) bond length is 2.53 Å. The Ru(2)-Si(3) bond length is 2.68 Å. The Ru(2)-Si(4) bond length is 2.50 Å. There is one shorter (2.46 Å) and one longer (2.57 Å) Ru(2)-Si(5) bond length. In the third Ru site, Ru(3) is bonded in a 5-coordinate geometry to three equivalent Hf(1), one Si(1), one Si(2), one Si(4), and two equivalent Si(3) atoms. The Ru(3)-Si(1) bond length is 2.37 Å. The Ru(3)-Si(2) bond length is 2.45 Å. The Ru(3)-Si(4) bond length is 2.39 Å. There is one shorter (2.40 Å) and one longer (2.44 Å) Ru(3)-Si(3) bond length. There are five inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to two equivalent Hf(1), two equivalent Hf(2), two equivalent Ru(2), and two equivalent Ru(3) atoms. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to two equivalent Hf(1), two equivalent Hf(2), two equivalent Ru(2), and two equivalent Ru(3) atoms. In the third Si site, Si(3) is bonded in a 7-coordinate geometry to one Hf(2), two equivalent Hf(1), one Ru(2), two equivalent Ru(1), two equivalent Ru(3), and one Si(4) atom. The Si(3)-Si(4) bond length is 2.61 Å. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one Hf(1), two equivalent Hf(2), one Ru(2), one Ru(3), two equivalent Ru(1), one Si(3), and one Si(5) atom. The Si(4)-Si(5) bond length is 2.55 Å. In the fifth Si site, Si(5) is bonded in a 9-coordinate geometry to one Hf(1), three equivalent Hf(2), two equivalent Ru(1), two equivalent Ru(2), and one Si(4) atom.