Ba3RuF6 crystallizes in the triclinic P-1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. In the third Ba site, Ba(3) is bonded in a distorted octahedral geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. Ru(1) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded to one Ba(1), one Ba(2), one Ba(3), and one Ru(1) atom to form a mixture of distorted corner, edge, and face-sharing FBa3Ru trigonal pyramids. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Ba(3) atom. In the third F site, F(3) is bonded to one Ba(1), one Ba(2), one Ba(3), and one Ru(1) atom to form a mixture of distorted corner, edge, and face-sharing FBa3Ru trigonal pyramids.
Ba3RuF6 crystallizes in the triclinic P-1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. Both Ba(1)-F(1) bond lengths are 2.78 Å. Both Ba(1)-F(2) bond lengths are 2.73 Å. Both Ba(1)-F(3) bond lengths are 2.72 Å. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. Both Ba(2)-F(1) bond lengths are 2.71 Å. Both Ba(2)-F(2) bond lengths are 2.73 Å. Both Ba(2)-F(3) bond lengths are 2.80 Å. In the third Ba site, Ba(3) is bonded in a distorted octahedral geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. Both Ba(3)-F(1) bond lengths are 2.66 Å. Both Ba(3)-F(2) bond lengths are 2.63 Å. Both Ba(3)-F(3) bond lengths are 2.65 Å. Ru(1) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(3) atoms. Both Ru(1)-F(1) bond lengths are 2.19 Å. Both Ru(1)-F(3) bond lengths are 2.19 Å. There are three inequivalent F sites. In the first F site, F(1) is bonded to one Ba(1), one Ba(2), one Ba(3), and one Ru(1) atom to form a mixture of distorted corner, edge, and face-sharing FBa3Ru trigonal pyramids. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Ba(3) atom. In the third F site, F(3) is bonded to one Ba(1), one Ba(2), one Ba(3), and one Ru(1) atom to form a mixture of distorted corner, edge, and face-sharing FBa3Ru trigonal pyramids.