NbRuSi crystallizes in the orthorhombic Ima2 space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 11-coordinate geometry to two equivalent Ru(1), four equivalent Ru(2), one Si(1), and four equivalent Si(2) atoms. In the second Nb site, Nb(2) is bonded in a 7-coordinate geometry to two equivalent Ru(1), two equivalent Ru(2), one Si(1), and four equivalent Si(2) atoms. In the third Nb site, Nb(3) is bonded in a 9-coordinate geometry to two equivalent Ru(1), two equivalent Ru(2), one Si(1), and four equivalent Si(2) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 12-coordinate geometry to two equivalent Nb(1), two equivalent Nb(2), two equivalent Nb(3), two equivalent Ru(2), two equivalent Si(1), and two equivalent Si(2) atoms. In the second Ru site, Ru(2) is bonded in a 8-coordinate geometry to one Nb(2), one Nb(3), two equivalent Nb(1), one Ru(1), two equivalent Si(1), and two equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Nb(1), one Nb(2), one Nb(3), two equivalent Ru(1), and four equivalent Ru(2) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Nb(1), two equivalent Nb(2), two equivalent Nb(3), one Ru(1), and two equivalent Ru(2) atoms.
NbRuSi crystallizes in the orthorhombic Ima2 space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 11-coordinate geometry to two equivalent Ru(1), four equivalent Ru(2), one Si(1), and four equivalent Si(2) atoms. Both Nb(1)-Ru(1) bond lengths are 2.88 Å. There are two shorter (2.79 Å) and two longer (2.80 Å) Nb(1)-Ru(2) bond lengths. The Nb(1)-Si(1) bond length is 2.88 Å. There are two shorter (2.66 Å) and two longer (2.72 Å) Nb(1)-Si(2) bond lengths. In the second Nb site, Nb(2) is bonded in a 7-coordinate geometry to two equivalent Ru(1), two equivalent Ru(2), one Si(1), and four equivalent Si(2) atoms. Both Nb(2)-Ru(1) bond lengths are 3.06 Å. Both Nb(2)-Ru(2) bond lengths are 2.91 Å. The Nb(2)-Si(1) bond length is 2.59 Å. There are two shorter (2.66 Å) and two longer (2.68 Å) Nb(2)-Si(2) bond lengths. In the third Nb site, Nb(3) is bonded in a 9-coordinate geometry to two equivalent Ru(1), two equivalent Ru(2), one Si(1), and four equivalent Si(2) atoms. Both Nb(3)-Ru(1) bond lengths are 2.85 Å. Both Nb(3)-Ru(2) bond lengths are 2.87 Å. The Nb(3)-Si(1) bond length is 2.73 Å. There are two shorter (2.66 Å) and two longer (2.67 Å) Nb(3)-Si(2) bond lengths. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 12-coordinate geometry to two equivalent Nb(1), two equivalent Nb(2), two equivalent Nb(3), two equivalent Ru(2), two equivalent Si(1), and two equivalent Si(2) atoms. Both Ru(1)-Ru(2) bond lengths are 2.80 Å. Both Ru(1)-Si(1) bond lengths are 2.47 Å. Both Ru(1)-Si(2) bond lengths are 2.51 Å. In the second Ru site, Ru(2) is bonded in a 8-coordinate geometry to one Nb(2), one Nb(3), two equivalent Nb(1), one Ru(1), two equivalent Si(1), and two equivalent Si(2) atoms. There is one shorter (2.45 Å) and one longer (2.46 Å) Ru(2)-Si(1) bond length. There is one shorter (2.50 Å) and one longer (2.52 Å) Ru(2)-Si(2) bond length. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Nb(1), one Nb(2), one Nb(3), two equivalent Ru(1), and four equivalent Ru(2) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Nb(1), two equivalent Nb(2), two equivalent Nb(3), one Ru(1), and two equivalent Ru(2) atoms.