Ba2YBr7 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one Br(1), one Br(3), one Br(4), one Br(5), one Br(6), one Br(7), and two equivalent Br(2) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one Br(3), one Br(4), one Br(5), one Br(6), and three equivalent Br(7) atoms. Y(1) is bonded in an octahedral geometry to one Br(1), one Br(2), one Br(3), one Br(4), one Br(5), and one Br(6) atom. There are seven inequivalent Br sites. In the first Br site, Br(6) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the second Br site, Br(7) is bonded to one Ba(1) and three equivalent Ba(2) atoms to form a mixture of distorted corner and edge-sharing BrBa4 tetrahedra. In the third Br site, Br(1) is bonded in a 2-coordinate geometry to one Ba(1) and one Y(1) atom. In the fourth Br site, Br(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba(1) and one Y(1) atom. In the fifth Br site, Br(3) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the sixth Br site, Br(4) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the seventh Br site, Br(5) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom.
Ba2YBr7 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one Br(1), one Br(3), one Br(4), one Br(5), one Br(6), one Br(7), and two equivalent Br(2) atoms. The Ba(1)-Br(1) bond length is 3.50 Å. The Ba(1)-Br(3) bond length is 3.39 Å. The Ba(1)-Br(4) bond length is 3.37 Å. The Ba(1)-Br(5) bond length is 3.63 Å. The Ba(1)-Br(6) bond length is 3.32 Å. The Ba(1)-Br(7) bond length is 3.61 Å. There is one shorter (3.40 Å) and one longer (3.46 Å) Ba(1)-Br(2) bond length. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one Br(3), one Br(4), one Br(5), one Br(6), and three equivalent Br(7) atoms. The Ba(2)-Br(3) bond length is 3.28 Å. The Ba(2)-Br(4) bond length is 3.33 Å. The Ba(2)-Br(5) bond length is 3.58 Å. The Ba(2)-Br(6) bond length is 3.38 Å. There are a spread of Ba(2)-Br(7) bond distances ranging from 3.23-3.57 Å. Y(1) is bonded in an octahedral geometry to one Br(1), one Br(2), one Br(3), one Br(4), one Br(5), and one Br(6) atom. The Y(1)-Br(1) bond length is 2.82 Å. The Y(1)-Br(2) bond length is 2.80 Å. The Y(1)-Br(3) bond length is 2.83 Å. The Y(1)-Br(4) bond length is 2.81 Å. The Y(1)-Br(5) bond length is 2.75 Å. The Y(1)-Br(6) bond length is 2.79 Å. There are seven inequivalent Br sites. In the first Br site, Br(6) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the second Br site, Br(7) is bonded to one Ba(1) and three equivalent Ba(2) atoms to form a mixture of distorted corner and edge-sharing BrBa4 tetrahedra. In the third Br site, Br(1) is bonded in a 2-coordinate geometry to one Ba(1) and one Y(1) atom. In the fourth Br site, Br(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba(1) and one Y(1) atom. In the fifth Br site, Br(3) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the sixth Br site, Br(4) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the seventh Br site, Br(5) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom.