Ba2Mo2F11 crystallizes in the trigonal P3_2 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one F(11), one F(2), one F(5), one F(7), one F(8), and two equivalent F(4) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one F(1), one F(10), one F(2), one F(3), one F(4), one F(5), one F(7), one F(8), and one F(9) atom. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(6), and one F(9) atom to form a mixture of distorted edge and corner-sharing MoF6 octahedra. The corner-sharing octahedral tilt angles are 57°. In the second Mo site, Mo(2) is bonded to one F(1), one F(10), one F(11), one F(6), one F(8), and one F(9) atom to form a mixture of edge and corner-sharing MoF6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are eleven inequivalent F sites. In the first F site, F(11) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one Mo(2) atom. In the second F site, F(1) is bonded in a distorted water-like geometry to one Ba(2), one Mo(1), and one Mo(2) atom. In the third F site, F(2) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), and one Mo(1) atom. In the fourth F site, F(3) is bonded in a bent 120 degrees geometry to one Ba(2) and one Mo(1) atom. In the fifth F site, F(4) is bonded in a 1-coordinate geometry to one Ba(2), two equivalent Ba(1), and one Mo(1) atom. In the sixth F site, F(5) is bonded in a bent 120 degrees geometry to one Ba(1) and one Ba(2) atom. In the seventh F site, F(6) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one Mo(2) atom. In the eighth F site, F(7) is bonded in a bent 120 degrees geometry to one Ba(1) and one Ba(2) atom. In the ninth F site, F(8) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Mo(2) atom. In the tenth F site, F(9) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Mo(1), and one Mo(2) atom. In the eleventh F site, F(10) is bonded in a single-bond geometry to one Ba(2) and one Mo(2) atom.
Ba2Mo2F11 crystallizes in the trigonal P3_2 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one F(11), one F(2), one F(5), one F(7), one F(8), and two equivalent F(4) atoms. The Ba(1)-F(11) bond length is 2.85 Å. The Ba(1)-F(2) bond length is 2.66 Å. The Ba(1)-F(5) bond length is 2.56 Å. The Ba(1)-F(7) bond length is 2.52 Å. The Ba(1)-F(8) bond length is 2.94 Å. There is one shorter (2.90 Å) and one longer (2.94 Å) Ba(1)-F(4) bond length. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one F(1), one F(10), one F(2), one F(3), one F(4), one F(5), one F(7), one F(8), and one F(9) atom. The Ba(2)-F(1) bond length is 3.02 Å. The Ba(2)-F(10) bond length is 3.12 Å. The Ba(2)-F(2) bond length is 3.18 Å. The Ba(2)-F(3) bond length is 2.77 Å. The Ba(2)-F(4) bond length is 3.21 Å. The Ba(2)-F(5) bond length is 2.46 Å. The Ba(2)-F(7) bond length is 2.48 Å. The Ba(2)-F(8) bond length is 3.32 Å. The Ba(2)-F(9) bond length is 2.92 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(6), and one F(9) atom to form a mixture of distorted edge and corner-sharing MoF6 octahedra. The corner-sharing octahedral tilt angles are 57°. The Mo(1)-F(1) bond length is 2.20 Å. The Mo(1)-F(2) bond length is 2.07 Å. The Mo(1)-F(3) bond length is 2.03 Å. The Mo(1)-F(4) bond length is 2.09 Å. The Mo(1)-F(6) bond length is 2.15 Å. The Mo(1)-F(9) bond length is 2.25 Å. In the second Mo site, Mo(2) is bonded to one F(1), one F(10), one F(11), one F(6), one F(8), and one F(9) atom to form a mixture of edge and corner-sharing MoF6 octahedra. The corner-sharing octahedral tilt angles are 57°. The Mo(2)-F(1) bond length is 2.07 Å. The Mo(2)-F(10) bond length is 1.92 Å. The Mo(2)-F(11) bond length is 1.93 Å. The Mo(2)-F(6) bond length is 2.09 Å. The Mo(2)-F(8) bond length is 1.98 Å. The Mo(2)-F(9) bond length is 2.09 Å. There are eleven inequivalent F sites. In the first F site, F(11) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one Mo(2) atom. In the second F site, F(1) is bonded in a distorted water-like geometry to one Ba(2), one Mo(1), and one Mo(2) atom. In the third F site, F(2) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), and one Mo(1) atom. In the fourth F site, F(3) is bonded in a bent 120 degrees geometry to one Ba(2) and one Mo(1) atom. In the fifth F site, F(4) is bonded in a 1-coordinate geometry to one Ba(2), two equivalent Ba(1), and one Mo(1) atom. In the sixth F site, F(5) is bonded in a bent 120 degrees geometry to one Ba(1) and one Ba(2) atom. In the seventh F site, F(6) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one Mo(2) atom. In the eighth F site, F(7) is bonded in a bent 120 degrees geometry to one Ba(1) and one Ba(2) atom. In the ninth F site, F(8) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Mo(2) atom. In the tenth F site, F(9) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Mo(1), and one Mo(2) atom. In the eleventh F site, F(10) is bonded in a single-bond geometry to one Ba(2) and one Mo(2) atom.