RbMo3Cl7 crystallizes in the monoclinic C2/c space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to two equivalent Cl(6) and four equivalent Cl(7) atoms. In the second Rb site, Rb(2) is bonded in a distorted square co-planar geometry to four equivalent Cl(2) atoms. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one Cl(1), one Cl(3), one Cl(4), one Cl(5), and one Cl(6) atom to form edge-sharing MoCl5 square pyramids. In the second Mo site, Mo(2) is bonded to one Cl(1), one Cl(3), one Cl(4), one Cl(5), and one Cl(7) atom to form edge-sharing MoCl5 square pyramids. In the third Mo site, Mo(3) is bonded to one Cl(1), one Cl(2), one Cl(3), one Cl(4), and one Cl(5) atom to form edge-sharing MoCl5 square pyramids. There are seven inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the second Cl site, Cl(2) is bonded in a trigonal non-coplanar geometry to two equivalent Rb(2) and one Mo(3) atom. In the third Cl site, Cl(3) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the fourth Cl site, Cl(4) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the fifth Cl site, Cl(5) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the sixth Cl site, Cl(6) is bonded in a distorted bent 120 degrees geometry to one Rb(1) and one Mo(1) atom. In the seventh Cl site, Cl(7) is bonded in a distorted trigonal planar geometry to two equivalent Rb(1) and one Mo(2) atom.
RbMo3Cl7 crystallizes in the monoclinic C2/c space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to two equivalent Cl(6) and four equivalent Cl(7) atoms. Both Rb(1)-Cl(6) bond lengths are 3.34 Å. There are two shorter (3.32 Å) and two longer (3.37 Å) Rb(1)-Cl(7) bond lengths. In the second Rb site, Rb(2) is bonded in a distorted square co-planar geometry to four equivalent Cl(2) atoms. There are two shorter (3.18 Å) and two longer (3.23 Å) Rb(2)-Cl(2) bond lengths. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one Cl(1), one Cl(3), one Cl(4), one Cl(5), and one Cl(6) atom to form edge-sharing MoCl5 square pyramids. The Mo(1)-Cl(1) bond length is 2.48 Å. The Mo(1)-Cl(3) bond length is 2.50 Å. The Mo(1)-Cl(4) bond length is 2.49 Å. The Mo(1)-Cl(5) bond length is 2.49 Å. The Mo(1)-Cl(6) bond length is 2.42 Å. In the second Mo site, Mo(2) is bonded to one Cl(1), one Cl(3), one Cl(4), one Cl(5), and one Cl(7) atom to form edge-sharing MoCl5 square pyramids. The Mo(2)-Cl(1) bond length is 2.48 Å. The Mo(2)-Cl(3) bond length is 2.49 Å. The Mo(2)-Cl(4) bond length is 2.50 Å. The Mo(2)-Cl(5) bond length is 2.49 Å. The Mo(2)-Cl(7) bond length is 2.45 Å. In the third Mo site, Mo(3) is bonded to one Cl(1), one Cl(2), one Cl(3), one Cl(4), and one Cl(5) atom to form edge-sharing MoCl5 square pyramids. The Mo(3)-Cl(1) bond length is 2.48 Å. The Mo(3)-Cl(2) bond length is 2.47 Å. The Mo(3)-Cl(3) bond length is 2.50 Å. The Mo(3)-Cl(4) bond length is 2.49 Å. The Mo(3)-Cl(5) bond length is 2.49 Å. There are seven inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the second Cl site, Cl(2) is bonded in a trigonal non-coplanar geometry to two equivalent Rb(2) and one Mo(3) atom. In the third Cl site, Cl(3) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the fourth Cl site, Cl(4) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the fifth Cl site, Cl(5) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the sixth Cl site, Cl(6) is bonded in a distorted bent 120 degrees geometry to one Rb(1) and one Mo(1) atom. In the seventh Cl site, Cl(7) is bonded in a distorted trigonal planar geometry to two equivalent Rb(1) and one Mo(2) atom.