Ba2YCl7 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(1), one Cl(11), one Cl(12), one Cl(14), one Cl(2), one Cl(3), one Cl(5), one Cl(9), and two equivalent Cl(8) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one Cl(10), one Cl(11), one Cl(13), one Cl(3), one Cl(4), 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 9-coordinate geometry to one Cl(1), one Cl(10), one Cl(12), one Cl(14), one Cl(2), one Cl(4), one Cl(6), one Cl(8), and one Cl(9) atom. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to one Cl(1), one Cl(10), one Cl(11), one Cl(12), one Cl(13), one Cl(14), one Cl(2), one Cl(5), and two equivalent Cl(7) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in an octahedral geometry to one Cl(11), one Cl(13), one Cl(3), one Cl(5), one Cl(6), and one Cl(7) atom. In the second Y site, Y(2) is bonded in an octahedral geometry to one Cl(1), one Cl(12), one Cl(14), one Cl(2), one Cl(4), and one Cl(8) atom. There are fourteen inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Ba(1), one Ba(3), one Ba(4), and one Y(2) atom to form distorted edge-sharing ClBa3Y trigonal pyramids. 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 Y(2) atom. In the third Cl site, Cl(3) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the fourth Cl site, Cl(4) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ba(3), and one Y(2) atom. In the fifth Cl site, Cl(5) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), and one Y(1) atom. In the sixth Cl site, Cl(6) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ba(3), and one Y(1) atom. In the seventh Cl site, Cl(7) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(4), and one Y(1) atom. In the eighth Cl site, Cl(8) is bonded in a 1-coordinate geometry to one Ba(3), two equivalent Ba(1), and one Y(2) atom. In the ninth Cl site, Cl(9) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), and one Ba(3) atom. In the tenth Cl site, Cl(10) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ba(3), and one Ba(4) atom. In the eleventh Cl site, Cl(11) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), and one Y(1) atom. In the twelfth Cl site, Cl(12) is bonded to one Ba(1), one Ba(3), one Ba(4), and one Y(2) atom to form distorted edge-sharing ClBa3Y tetrahedra. In the thirteenth Cl site, Cl(13) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(4), and one Y(1) atom. In the fourteenth Cl site, Cl(14) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), and one Y(2) atom.
Ba2YCl7 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(1), one Cl(11), one Cl(12), one Cl(14), one Cl(2), one Cl(3), one Cl(5), one Cl(9), and two equivalent Cl(8) atoms. The Ba(1)-Cl(1) bond length is 3.35 Å. The Ba(1)-Cl(11) bond length is 3.21 Å. The Ba(1)-Cl(12) bond length is 3.57 Å. The Ba(1)-Cl(14) bond length is 3.84 Å. The Ba(1)-Cl(2) bond length is 3.71 Å. The Ba(1)-Cl(3) bond length is 3.25 Å. The Ba(1)-Cl(5) bond length is 3.81 Å. The Ba(1)-Cl(9) bond length is 3.07 Å. There is one shorter (3.42 Å) and one longer (3.82 Å) Ba(1)-Cl(8) bond length. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one Cl(10), one Cl(11), one Cl(13), one Cl(3), one Cl(4), one Cl(5), one Cl(6), one Cl(7), and one Cl(9) atom. The Ba(2)-Cl(10) bond length is 3.11 Å. The Ba(2)-Cl(11) bond length is 3.79 Å. The Ba(2)-Cl(13) bond length is 3.24 Å. The Ba(2)-Cl(3) bond length is 3.24 Å. The Ba(2)-Cl(4) bond length is 3.20 Å. The Ba(2)-Cl(5) bond length is 3.30 Å. The Ba(2)-Cl(6) bond length is 3.29 Å. The Ba(2)-Cl(7) bond length is 3.53 Å. The Ba(2)-Cl(9) bond length is 3.11 Å. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one Cl(1), one Cl(10), one Cl(12), one Cl(14), one Cl(2), one Cl(4), one Cl(6), one Cl(8), and one Cl(9) atom. The Ba(3)-Cl(1) bond length is 3.36 Å. The Ba(3)-Cl(10) bond length is 3.09 Å. The Ba(3)-Cl(12) bond length is 3.61 Å. The Ba(3)-Cl(14) bond length is 3.19 Å. The Ba(3)-Cl(2) bond length is 3.29 Å. The Ba(3)-Cl(4) bond length is 3.26 Å. The Ba(3)-Cl(6) bond length is 3.19 Å. The Ba(3)-Cl(8) bond length is 3.52 Å. The Ba(3)-Cl(9) bond length is 3.12 Å. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to one Cl(1), one Cl(10), one Cl(11), one Cl(12), one Cl(13), one Cl(14), one Cl(2), one Cl(5), and two equivalent Cl(7) atoms. The Ba(4)-Cl(1) bond length is 3.55 Å. The Ba(4)-Cl(10) bond length is 3.05 Å. The Ba(4)-Cl(11) bond length is 3.61 Å. The Ba(4)-Cl(12) bond length is 3.23 Å. The Ba(4)-Cl(13) bond length is 3.51 Å. The Ba(4)-Cl(14) bond length is 3.69 Å. The Ba(4)-Cl(2) bond length is 3.49 Å. The Ba(4)-Cl(5) bond length is 3.29 Å. There is one shorter (3.61 Å) and one longer (3.69 Å) Ba(4)-Cl(7) bond length. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in an octahedral geometry to one Cl(11), one Cl(13), one Cl(3), one Cl(5), one Cl(6), and one Cl(7) atom. The Y(1)-Cl(11) bond length is 2.67 Å. The Y(1)-Cl(13) bond length is 2.62 Å. The Y(1)-Cl(3) bond length is 2.68 Å. The Y(1)-Cl(5) bond length is 2.67 Å. The Y(1)-Cl(6) bond length is 2.60 Å. The Y(1)-Cl(7) bond length is 2.65 Å. In the second Y site, Y(2) is bonded in an octahedral geometry to one Cl(1), one Cl(12), one Cl(14), one Cl(2), one Cl(4), and one Cl(8) atom. The Y(2)-Cl(1) bond length is 2.68 Å. The Y(2)-Cl(12) bond length is 2.67 Å. The Y(2)-Cl(14) bond length is 2.62 Å. The Y(2)-Cl(2) bond length is 2.68 Å. The Y(2)-Cl(4) bond length is 2.59 Å. The Y(2)-Cl(8) bond length is 2.65 Å. There are fourteen inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Ba(1), one Ba(3), one Ba(4), and one Y(2) atom to form distorted edge-sharing ClBa3Y trigonal pyramids. 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 Y(2) atom. In the third Cl site, Cl(3) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the fourth Cl site, Cl(4) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ba(3), and one Y(2) atom. In the fifth Cl site, Cl(5) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), and one Y(1) atom. In the sixth Cl site, Cl(6) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ba(3), and one Y(1) atom. In the seventh Cl site, Cl(7) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(4), and one Y(1) atom. In the eighth Cl site, Cl(8) is bonded in a 1-coordinate geometry to one Ba(3), two equivalent Ba(1), and one Y(2) atom. In the ninth Cl site, Cl(9) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), and one Ba(3) atom. In the tenth Cl site, Cl(10) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ba(3), and one Ba(4) atom. In the eleventh Cl site, Cl(11) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), and one Y(1) atom. In the twelfth Cl site, Cl(12) is bonded to one Ba(1), one Ba(3), one Ba(4), and one Y(2) atom to form distorted edge-sharing ClBa3Y tetrahedra. In the thirteenth Cl site, Cl(13) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(4), and one Y(1) atom. In the fourteenth Cl site, Cl(14) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), and one Y(2) atom.