ZrTa(RuSi)2 crystallizes in the monoclinic Pm space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 11-coordinate geometry to two equivalent Ru(1), two equivalent Ru(4), two equivalent Ru(6), one Si(2), two equivalent Si(4), and two equivalent Si(6) atoms. In the second Zr site, Zr(2) is bonded in a 11-coordinate geometry to two equivalent Ru(1), two equivalent Ru(3), two equivalent Ru(5), one Si(2), two equivalent Si(3), and two equivalent Si(5) atoms. In the third Zr site, Zr(3) is bonded in a 11-coordinate geometry to two equivalent Ru(2), two equivalent Ru(4), two equivalent Ru(6), one Si(1), two equivalent Si(4), and two equivalent Si(6) atoms. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 11-coordinate geometry to two equivalent Ru(2), two equivalent Ru(4), two equivalent Ru(5), one Si(1), two equivalent Si(4), and two equivalent Si(5) atoms. In the second Ta site, Ta(2) is bonded in a 11-coordinate geometry to two equivalent Ru(1), two equivalent Ru(3), two equivalent Ru(6), one Si(2), two equivalent Si(3), and two equivalent Si(6) atoms. In the third Ta site, Ta(3) is bonded in a 11-coordinate geometry to two equivalent Ru(2), two equivalent Ru(3), two equivalent Ru(5), one Si(1), two equivalent Si(3), and two equivalent Si(5) atoms. There are six inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 12-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), two equivalent Ta(2), one Ru(3), one Ru(6), one Si(3), one Si(6), and two equivalent Si(2) atoms. In the second Ru site, Ru(2) is bonded in a 12-coordinate geometry to two equivalent Zr(3), two equivalent Ta(1), two equivalent Ta(3), one Ru(4), one Ru(5), one Si(4), one Si(5), and two equivalent Si(1) atoms. In the third Ru site, Ru(3) is bonded in a 12-coordinate geometry to two equivalent Zr(2), two equivalent Ta(2), two equivalent Ta(3), one Ru(1), one Ru(6), one Si(3), one Si(5), and two equivalent Si(2) atoms. In the fourth Ru site, Ru(4) is bonded in a 12-coordinate geometry to two equivalent Zr(1), two equivalent Zr(3), two equivalent Ta(1), one Ru(2), one Ru(5), one Si(4), one Si(6), and two equivalent Si(1) atoms. In the fifth Ru site, Ru(5) is bonded in a 12-coordinate geometry to two equivalent Zr(2), two equivalent Ta(1), two equivalent Ta(3), one Ru(2), one Ru(4), one Si(3), one Si(5), and two equivalent Si(1) atoms. In the sixth Ru site, Ru(6) is bonded in a 12-coordinate geometry to two equivalent Zr(1), two equivalent Zr(3), two equivalent Ta(2), one Ru(1), one Ru(3), one Si(4), one Si(6), and two equivalent Si(2) atoms. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Zr(3), one Ta(1), one Ta(3), two equivalent Ru(2), two equivalent Ru(4), and two equivalent Ru(5) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Zr(1), one Zr(2), one Ta(2), two equivalent Ru(1), two equivalent Ru(3), and two equivalent Ru(6) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Zr(2), two equivalent Ta(2), two equivalent Ta(3), one Ru(1), one Ru(3), and one Ru(5) atom. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to two equivalent Zr(1), two equivalent Zr(3), two equivalent Ta(1), one Ru(2), one Ru(4), and one Ru(6) atom. In the fifth Si site, Si(5) is bonded in a 9-coordinate geometry to two equivalent Zr(2), two equivalent Ta(1), two equivalent Ta(3), one Ru(2), one Ru(3), and one Ru(5) atom. In the sixth Si site, Si(6) is bonded in a 9-coordinate geometry to two equivalent Zr(1), two equivalent Zr(3), two equivalent Ta(2), one Ru(1), one Ru(4), and one Ru(6) atom.
ZrTa(RuSi)2 crystallizes in the monoclinic Pm space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 11-coordinate geometry to two equivalent Ru(1), two equivalent Ru(4), two equivalent Ru(6), one Si(2), two equivalent Si(4), and two equivalent Si(6) atoms. Both Zr(1)-Ru(1) bond lengths are 3.06 Å. Both Zr(1)-Ru(4) bond lengths are 2.89 Å. Both Zr(1)-Ru(6) bond lengths are 3.07 Å. The Zr(1)-Si(2) bond length is 2.78 Å. Both Zr(1)-Si(4) bond lengths are 2.74 Å. Both Zr(1)-Si(6) bond lengths are 2.74 Å. In the second Zr site, Zr(2) is bonded in a 11-coordinate geometry to two equivalent Ru(1), two equivalent Ru(3), two equivalent Ru(5), one Si(2), two equivalent Si(3), and two equivalent Si(5) atoms. Both Zr(2)-Ru(1) bond lengths are 3.02 Å. Both Zr(2)-Ru(3) bond lengths are 3.06 Å. Both Zr(2)-Ru(5) bond lengths are 2.87 Å. The Zr(2)-Si(2) bond length is 2.76 Å. Both Zr(2)-Si(3) bond lengths are 2.75 Å. Both Zr(2)-Si(5) bond lengths are 2.74 Å. In the third Zr site, Zr(3) is bonded in a 11-coordinate geometry to two equivalent Ru(2), two equivalent Ru(4), two equivalent Ru(6), one Si(1), two equivalent Si(4), and two equivalent Si(6) atoms. Both Zr(3)-Ru(2) bond lengths are 3.06 Å. Both Zr(3)-Ru(4) bond lengths are 3.05 Å. Both Zr(3)-Ru(6) bond lengths are 2.90 Å. The Zr(3)-Si(1) bond length is 2.79 Å. Both Zr(3)-Si(4) bond lengths are 2.74 Å. Both Zr(3)-Si(6) bond lengths are 2.74 Å. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 11-coordinate geometry to two equivalent Ru(2), two equivalent Ru(4), two equivalent Ru(5), one Si(1), two equivalent Si(4), and two equivalent Si(5) atoms. Both Ta(1)-Ru(2) bond lengths are 2.87 Å. Both Ta(1)-Ru(4) bond lengths are 3.05 Å. Both Ta(1)-Ru(5) bond lengths are 3.06 Å. The Ta(1)-Si(1) bond length is 2.74 Å. Both Ta(1)-Si(4) bond lengths are 2.68 Å. Both Ta(1)-Si(5) bond lengths are 2.69 Å. In the second Ta site, Ta(2) is bonded in a 11-coordinate geometry to two equivalent Ru(1), two equivalent Ru(3), two equivalent Ru(6), one Si(2), two equivalent Si(3), and two equivalent Si(6) atoms. Both Ta(2)-Ru(1) bond lengths are 2.88 Å. Both Ta(2)-Ru(3) bond lengths are 3.03 Å. Both Ta(2)-Ru(6) bond lengths are 3.06 Å. The Ta(2)-Si(2) bond length is 2.71 Å. Both Ta(2)-Si(3) bond lengths are 2.69 Å. Both Ta(2)-Si(6) bond lengths are 2.69 Å. In the third Ta site, Ta(3) is bonded in a 11-coordinate geometry to two equivalent Ru(2), two equivalent Ru(3), two equivalent Ru(5), one Si(1), two equivalent Si(3), and two equivalent Si(5) atoms. Both Ta(3)-Ru(2) bond lengths are 3.00 Å. Both Ta(3)-Ru(3) bond lengths are 2.88 Å. Both Ta(3)-Ru(5) bond lengths are 3.05 Å. The Ta(3)-Si(1) bond length is 2.72 Å. Both Ta(3)-Si(3) bond lengths are 2.70 Å. Both Ta(3)-Si(5) bond lengths are 2.71 Å. There are six inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 12-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), two equivalent Ta(2), one Ru(3), one Ru(6), one Si(3), one Si(6), and two equivalent Si(2) atoms. The Ru(1)-Ru(3) bond length is 2.82 Å. The Ru(1)-Ru(6) bond length is 2.80 Å. The Ru(1)-Si(3) bond length is 2.51 Å. The Ru(1)-Si(6) bond length is 2.51 Å. Both Ru(1)-Si(2) bond lengths are 2.52 Å. In the second Ru site, Ru(2) is bonded in a 12-coordinate geometry to two equivalent Zr(3), two equivalent Ta(1), two equivalent Ta(3), one Ru(4), one Ru(5), one Si(4), one Si(5), and two equivalent Si(1) atoms. The Ru(2)-Ru(4) bond length is 2.81 Å. The Ru(2)-Ru(5) bond length is 2.77 Å. The Ru(2)-Si(4) bond length is 2.50 Å. The Ru(2)-Si(5) bond length is 2.46 Å. Both Ru(2)-Si(1) bond lengths are 2.51 Å. In the third Ru site, Ru(3) is bonded in a 12-coordinate geometry to two equivalent Zr(2), two equivalent Ta(2), two equivalent Ta(3), one Ru(1), one Ru(6), one Si(3), one Si(5), and two equivalent Si(2) atoms. The Ru(3)-Ru(6) bond length is 2.77 Å. The Ru(3)-Si(3) bond length is 2.47 Å. The Ru(3)-Si(5) bond length is 2.50 Å. Both Ru(3)-Si(2) bond lengths are 2.47 Å. In the fourth Ru site, Ru(4) is bonded in a 12-coordinate geometry to two equivalent Zr(1), two equivalent Zr(3), two equivalent Ta(1), one Ru(2), one Ru(5), one Si(4), one Si(6), and two equivalent Si(1) atoms. The Ru(4)-Ru(5) bond length is 2.76 Å. The Ru(4)-Si(4) bond length is 2.51 Å. The Ru(4)-Si(6) bond length is 2.57 Å. Both Ru(4)-Si(1) bond lengths are 2.48 Å. In the fifth Ru site, Ru(5) is bonded in a 12-coordinate geometry to two equivalent Zr(2), two equivalent Ta(1), two equivalent Ta(3), one Ru(2), one Ru(4), one Si(3), one Si(5), and two equivalent Si(1) atoms. The Ru(5)-Si(3) bond length is 2.51 Å. The Ru(5)-Si(5) bond length is 2.54 Å. Both Ru(5)-Si(1) bond lengths are 2.44 Å. In the sixth Ru site, Ru(6) is bonded in a 12-coordinate geometry to two equivalent Zr(1), two equivalent Zr(3), two equivalent Ta(2), one Ru(1), one Ru(3), one Si(4), one Si(6), and two equivalent Si(2) atoms. The Ru(6)-Si(4) bond length is 2.58 Å. The Ru(6)-Si(6) bond length is 2.50 Å. Both Ru(6)-Si(2) bond lengths are 2.45 Å. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Zr(3), one Ta(1), one Ta(3), two equivalent Ru(2), two equivalent Ru(4), and two equivalent Ru(5) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Zr(1), one Zr(2), one Ta(2), two equivalent Ru(1), two equivalent Ru(3), and two equivalent Ru(6) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Zr(2), two equivalent Ta(2), two equivalent Ta(3), one Ru(1), one Ru(3), and one Ru(5) atom. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to two equivalent Zr(1), two equivalent Zr(3), two equivalent Ta(1), one Ru(2), one Ru(4), and one Ru(6) atom. In the fifth Si site, Si(5) is bonded in a 9-coordinate geometry to two equivalent Zr(2), two equivalent Ta(1), two equivalent Ta(3), one Ru(2), one Ru(3), and one Ru(5) atom. In the sixth Si site, Si(6) is bonded in a 9-coordinate geometry to two equivalent Zr(1), two equivalent Zr(3), two equivalent Ta(2), one Ru(1), one Ru(4), and one Ru(6) atom.