Mg2Ru5B4 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 17-coordinate geometry to two equivalent Mg(1), two equivalent Ru(2), four equivalent Ru(1), four equivalent Ru(3), two equivalent B(2), and three equivalent B(1) atoms. In the second Mg site, Mg(1) is bonded in a 17-coordinate geometry to two equivalent Mg(1), two equivalent Ru(2), four equivalent Ru(1), four equivalent Ru(3), two equivalent B(2), and three equivalent B(1) atoms. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a distorted body-centered cubic geometry to four equivalent Mg(1), two equivalent B(1), and two equivalent B(2) atoms. In the second Ru site, Ru(2) is bonded in a distorted body-centered cubic geometry to four equivalent Mg(1) and four equivalent B(1) atoms. In the third Ru site, Ru(3) is bonded in a 6-coordinate geometry to four equivalent Mg(1), two equivalent B(1), and four equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to three equivalent Mg(1), two equivalent Ru(1), two equivalent Ru(2), and two equivalent Ru(3) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Mg(1), two equivalent Ru(1), four equivalent Ru(3), and one B(2) atom.
Mg2Ru5B4 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 17-coordinate geometry to two equivalent Mg(1), two equivalent Ru(2), four equivalent Ru(1), four equivalent Ru(3), two equivalent B(2), and three equivalent B(1) atoms. Both Mg(1)-Mg(1) bond lengths are 2.95 Å. Both Mg(1)-Ru(2) bond lengths are 2.67 Å. There are two shorter (2.59 Å) and two longer (2.69 Å) Mg(1)-Ru(1) bond lengths. There are two shorter (3.05 Å) and two longer (3.22 Å) Mg(1)-Ru(3) bond lengths. There is one shorter (2.74 Å) and one longer (2.79 Å) Mg(1)-B(2) bond length. There are a spread of Mg(1)-B(1) bond distances ranging from 2.60-2.88 Å. In the second Mg site, Mg(1) is bonded in a 17-coordinate geometry to two equivalent Mg(1), two equivalent Ru(2), four equivalent Ru(1), four equivalent Ru(3), two equivalent B(2), and three equivalent B(1) atoms. Both Mg(1)-Mg(1) bond lengths are 2.95 Å. Both Mg(1)-Ru(2) bond lengths are 2.67 Å. There are two shorter (2.59 Å) and two longer (2.69 Å) Mg(1)-Ru(1) bond lengths. There are two shorter (3.05 Å) and two longer (3.22 Å) Mg(1)-Ru(3) bond lengths. There is one shorter (2.74 Å) and one longer (2.79 Å) Mg(1)-B(2) bond length. There are a spread of Mg(1)-B(1) bond distances ranging from 2.60-2.88 Å. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a distorted body-centered cubic geometry to four equivalent Mg(1), two equivalent B(1), and two equivalent B(2) atoms. Both Ru(1)-B(1) bond lengths are 2.20 Å. Both Ru(1)-B(2) bond lengths are 2.16 Å. In the second Ru site, Ru(2) is bonded in a distorted body-centered cubic geometry to four equivalent Mg(1) and four equivalent B(1) atoms. All Ru(2)-B(1) bond lengths are 2.18 Å. In the third Ru site, Ru(3) is bonded in a 6-coordinate geometry to four equivalent Mg(1), two equivalent B(1), and four equivalent B(2) atoms. Both Ru(3)-B(1) bond lengths are 2.28 Å. There are two shorter (2.23 Å) and two longer (2.24 Å) Ru(3)-B(2) bond lengths. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to three equivalent Mg(1), two equivalent Ru(1), two equivalent Ru(2), and two equivalent Ru(3) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Mg(1), two equivalent Ru(1), four equivalent Ru(3), and one B(2) atom. The B(2)-B(2) bond length is 1.90 Å.