Ba2ScCl7 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one Cl(10), one Cl(11), one Cl(12), one Cl(14), one Cl(2), one Cl(5), one Cl(6), one Cl(8), and two equivalent Cl(4) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one Cl(1), one Cl(10), one Cl(11), one Cl(13), one Cl(3), one Cl(5), one Cl(6), one Cl(7), and one Cl(9) atom. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to one Cl(10), one Cl(11), one Cl(12), one Cl(14), one Cl(2), one Cl(3), one Cl(7), one Cl(8), and two equivalent Cl(13) atoms. In the fourth Ba site, Ba(4) is bonded in a 9-coordinate geometry to one Cl(1), one Cl(12), one Cl(14), one Cl(2), one Cl(4), one Cl(5), one Cl(7), one Cl(8), and one Cl(9) atom. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in an octahedral geometry to one Cl(1), one Cl(10), one Cl(11), one Cl(13), one Cl(3), and one Cl(6) atom. In the second Sc site, Sc(2) is bonded in an octahedral geometry to one Cl(12), one Cl(14), one Cl(2), one Cl(4), one Cl(8), and one Cl(9) atom. There are fourteen inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(4), and one Sc(1) atom. In the second Cl site, Cl(2) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), and one Sc(2) atom. In the third Cl site, Cl(3) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(3), and one Sc(1) atom. In the fourth Cl site, Cl(4) is bonded in a distorted single-bond geometry to one Ba(4), two equivalent Ba(1), and one Sc(2) atom. In the fifth Cl site, Cl(5) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), and one Ba(4) atom. In the sixth Cl site, Cl(6) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Sc(1) atom. In the seventh Cl site, Cl(7) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Ba(3), and one Ba(4) atom. In the eighth Cl site, Cl(8) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), and one Sc(2) atom. In the ninth Cl site, Cl(9) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(4), and one Sc(2) atom. In the tenth Cl site, Cl(10) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), and one Sc(1) atom. In the eleventh Cl site, Cl(11) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), and one Sc(1) atom. In the twelfth Cl site, Cl(12) is bonded in a distorted tetrahedral geometry to one Ba(1), one Ba(3), one Ba(4), and one Sc(2) atom. In the thirteenth Cl site, Cl(13) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(3), and one Sc(1) atom. In the fourteenth Cl site, Cl(14) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), and one Sc(2) atom.
Ba2ScCl7 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one Cl(10), one Cl(11), one Cl(12), one Cl(14), one Cl(2), one Cl(5), one Cl(6), one Cl(8), and two equivalent Cl(4) atoms. The Ba(1)-Cl(10) bond length is 3.67 Å. The Ba(1)-Cl(11) bond length is 3.20 Å. The Ba(1)-Cl(12) bond length is 3.44 Å. The Ba(1)-Cl(14) bond length is 3.62 Å. The Ba(1)-Cl(2) bond length is 3.27 Å. The Ba(1)-Cl(5) bond length is 3.04 Å. The Ba(1)-Cl(6) bond length is 3.28 Å. The Ba(1)-Cl(8) bond length is 3.77 Å. There is one shorter (3.39 Å) and one longer (3.70 Å) Ba(1)-Cl(4) bond length. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one Cl(1), one Cl(10), one Cl(11), one Cl(13), one Cl(3), one Cl(5), one Cl(6), one Cl(7), and one Cl(9) atom. The Ba(2)-Cl(1) bond length is 3.30 Å. The Ba(2)-Cl(10) bond length is 3.24 Å. The Ba(2)-Cl(11) bond length is 3.84 Å. The Ba(2)-Cl(13) bond length is 3.45 Å. The Ba(2)-Cl(3) bond length is 3.24 Å. The Ba(2)-Cl(5) bond length is 3.10 Å. The Ba(2)-Cl(6) bond length is 3.21 Å. The Ba(2)-Cl(7) bond length is 3.07 Å. The Ba(2)-Cl(9) bond length is 3.22 Å. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to one Cl(10), one Cl(11), one Cl(12), one Cl(14), one Cl(2), one Cl(3), one Cl(7), one Cl(8), and two equivalent Cl(13) atoms. The Ba(3)-Cl(10) bond length is 3.24 Å. The Ba(3)-Cl(11) bond length is 3.43 Å. The Ba(3)-Cl(12) bond length is 3.21 Å. The Ba(3)-Cl(14) bond length is 3.53 Å. The Ba(3)-Cl(2) bond length is 3.44 Å. The Ba(3)-Cl(3) bond length is 3.47 Å. The Ba(3)-Cl(7) bond length is 3.02 Å. The Ba(3)-Cl(8) bond length is 3.83 Å. There is one shorter (3.51 Å) and one longer (3.64 Å) Ba(3)-Cl(13) bond length. In the fourth Ba site, Ba(4) is bonded in a 9-coordinate geometry to one Cl(1), one Cl(12), one Cl(14), one Cl(2), one Cl(4), one Cl(5), one Cl(7), one Cl(8), and one Cl(9) atom. The Ba(4)-Cl(1) bond length is 3.21 Å. The Ba(4)-Cl(12) bond length is 3.63 Å. The Ba(4)-Cl(14) bond length is 3.26 Å. The Ba(4)-Cl(2) bond length is 3.29 Å. The Ba(4)-Cl(4) bond length is 3.47 Å. The Ba(4)-Cl(5) bond length is 3.08 Å. The Ba(4)-Cl(7) bond length is 3.08 Å. The Ba(4)-Cl(8) bond length is 3.18 Å. The Ba(4)-Cl(9) bond length is 3.28 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in an octahedral geometry to one Cl(1), one Cl(10), one Cl(11), one Cl(13), one Cl(3), and one Cl(6) atom. The Sc(1)-Cl(1) bond length is 2.46 Å. The Sc(1)-Cl(10) bond length is 2.54 Å. The Sc(1)-Cl(11) bond length is 2.54 Å. The Sc(1)-Cl(13) bond length is 2.50 Å. The Sc(1)-Cl(3) bond length is 2.46 Å. The Sc(1)-Cl(6) bond length is 2.53 Å. In the second Sc site, Sc(2) is bonded in an octahedral geometry to one Cl(12), one Cl(14), one Cl(2), one Cl(4), one Cl(8), and one Cl(9) atom. The Sc(2)-Cl(12) bond length is 2.54 Å. The Sc(2)-Cl(14) bond length is 2.53 Å. The Sc(2)-Cl(2) bond length is 2.55 Å. The Sc(2)-Cl(4) bond length is 2.51 Å. The Sc(2)-Cl(8) bond length is 2.45 Å. The Sc(2)-Cl(9) bond length is 2.44 Å. There are fourteen inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(4), and one Sc(1) atom. In the second Cl site, Cl(2) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), and one Sc(2) atom. In the third Cl site, Cl(3) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(3), and one Sc(1) atom. In the fourth Cl site, Cl(4) is bonded in a distorted single-bond geometry to one Ba(4), two equivalent Ba(1), and one Sc(2) atom. In the fifth Cl site, Cl(5) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), and one Ba(4) atom. In the sixth Cl site, Cl(6) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Sc(1) atom. In the seventh Cl site, Cl(7) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Ba(3), and one Ba(4) atom. In the eighth Cl site, Cl(8) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), and one Sc(2) atom. In the ninth Cl site, Cl(9) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(4), and one Sc(2) atom. In the tenth Cl site, Cl(10) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), and one Sc(1) atom. In the eleventh Cl site, Cl(11) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), and one Sc(1) atom. In the twelfth Cl site, Cl(12) is bonded in a distorted tetrahedral geometry to one Ba(1), one Ba(3), one Ba(4), and one Sc(2) atom. In the thirteenth Cl site, Cl(13) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(3), and one Sc(1) atom. In the fourteenth Cl site, Cl(14) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), and one Sc(2) atom.