Ba2Cu5F14 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 8-coordinate geometry to one F(2), one F(4), one F(5), one F(6), two equivalent F(3), and two equivalent F(7) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent F(2), two equivalent F(5), and two equivalent F(6) atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. In the second Cu site, Cu(2) is bonded to one F(1), one F(5), two equivalent F(2), and two equivalent F(4) atoms to form a mixture of distorted corner and edge-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles range from 44-71°. In the third Cu site, Cu(3) is bonded to one F(1), one F(3), one F(4), one F(6), and two equivalent F(7) atoms to form a mixture of distorted corner and edge-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles range from 46-71°. There are seven inequivalent F sites. In the first F site, F(2) is bonded in a 4-coordinate geometry to one Ba(1), one Cu(1), and two equivalent Cu(2) atoms. In the second F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba(1) and one Cu(3) atom. In the third F site, F(4) is bonded in a 4-coordinate geometry to one Ba(1), one Cu(3), and two equivalent Cu(2) atoms. In the fourth F site, F(5) is bonded in a 3-coordinate geometry to one Ba(1), one Cu(1), and one Cu(2) atom. In the fifth F site, F(6) is bonded in a 2-coordinate geometry to one Ba(1), one Cu(1), and one Cu(3) atom. In the sixth F site, F(7) is bonded to two equivalent Ba(1) and two equivalent Cu(3) atoms to form a mixture of distorted corner and edge-sharing FBa2Cu2 trigonal pyramids. In the seventh F site, F(1) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one Cu(3) atom.
Ba2Cu5F14 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 8-coordinate geometry to one F(2), one F(4), one F(5), one F(6), two equivalent F(3), and two equivalent F(7) atoms. The Ba(1)-F(2) bond length is 2.84 Å. The Ba(1)-F(4) bond length is 2.84 Å. The Ba(1)-F(5) bond length is 2.76 Å. The Ba(1)-F(6) bond length is 2.83 Å. There is one shorter (2.68 Å) and one longer (2.84 Å) Ba(1)-F(3) bond length. There is one shorter (2.68 Å) and one longer (2.75 Å) Ba(1)-F(7) bond length. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent F(2), two equivalent F(5), and two equivalent F(6) atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. Both Cu(1)-F(2) bond lengths are 2.13 Å. Both Cu(1)-F(5) bond lengths are 2.08 Å. Both Cu(1)-F(6) bond lengths are 1.92 Å. In the second Cu site, Cu(2) is bonded to one F(1), one F(5), two equivalent F(2), and two equivalent F(4) atoms to form a mixture of distorted corner and edge-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles range from 44-71°. The Cu(2)-F(1) bond length is 1.94 Å. The Cu(2)-F(5) bond length is 1.93 Å. There is one shorter (1.95 Å) and one longer (2.56 Å) Cu(2)-F(2) bond length. There is one shorter (1.95 Å) and one longer (2.37 Å) Cu(2)-F(4) bond length. In the third Cu site, Cu(3) is bonded to one F(1), one F(3), one F(4), one F(6), and two equivalent F(7) atoms to form a mixture of distorted corner and edge-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles range from 46-71°. The Cu(3)-F(1) bond length is 1.94 Å. The Cu(3)-F(3) bond length is 1.90 Å. The Cu(3)-F(4) bond length is 2.38 Å. The Cu(3)-F(6) bond length is 1.94 Å. There is one shorter (1.92 Å) and one longer (2.46 Å) Cu(3)-F(7) bond length. There are seven inequivalent F sites. In the first F site, F(2) is bonded in a 4-coordinate geometry to one Ba(1), one Cu(1), and two equivalent Cu(2) atoms. In the second F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba(1) and one Cu(3) atom. In the third F site, F(4) is bonded in a 4-coordinate geometry to one Ba(1), one Cu(3), and two equivalent Cu(2) atoms. In the fourth F site, F(5) is bonded in a 3-coordinate geometry to one Ba(1), one Cu(1), and one Cu(2) atom. In the fifth F site, F(6) is bonded in a 2-coordinate geometry to one Ba(1), one Cu(1), and one Cu(3) atom. In the sixth F site, F(7) is bonded to two equivalent Ba(1) and two equivalent Cu(3) atoms to form a mixture of distorted corner and edge-sharing FBa2Cu2 trigonal pyramids. In the seventh F site, F(1) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one Cu(3) atom.