Y12Re5C6 crystallizes in the hexagonal P-62m space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 3-coordinate geometry to one Re(1) and two equivalent C(1) atoms. In the second Y site, Y(2) is bonded in a 4-coordinate geometry to four equivalent C(1) atoms. In the third Y site, Y(3) is bonded in a distorted L-shaped geometry to four equivalent Re(1) and two equivalent C(1) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 8-coordinate geometry to two equivalent Y(1), four equivalent Y(3), and two equivalent Re(1) atoms. In the second Re site, Re(2) is bonded in a trigonal planar geometry to three equivalent C(1) atoms. C(1) is bonded to one Y(3), two equivalent Y(1), two equivalent Y(2), and one Re(2) atom to form a mixture of distorted corner and edge-sharing CY5Re octahedra. The corner-sharing octahedral tilt angles range from 9-47°.
Y12Re5C6 crystallizes in the hexagonal P-62m space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 3-coordinate geometry to one Re(1) and two equivalent C(1) atoms. The Y(1)-Re(1) bond length is 3.00 Å. Both Y(1)-C(1) bond lengths are 2.52 Å. In the second Y site, Y(2) is bonded in a 4-coordinate geometry to four equivalent C(1) atoms. There are two shorter (2.73 Å) and two longer (2.74 Å) Y(2)-C(1) bond lengths. In the third Y site, Y(3) is bonded in a distorted L-shaped geometry to four equivalent Re(1) and two equivalent C(1) atoms. All Y(3)-Re(1) bond lengths are 3.11 Å. Both Y(3)-C(1) bond lengths are 2.45 Å. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 8-coordinate geometry to two equivalent Y(1), four equivalent Y(3), and two equivalent Re(1) atoms. Both Re(1)-Re(1) bond lengths are 2.46 Å. In the second Re site, Re(2) is bonded in a trigonal planar geometry to three equivalent C(1) atoms. All Re(2)-C(1) bond lengths are 1.93 Å. C(1) is bonded to one Y(3), two equivalent Y(1), two equivalent Y(2), and one Re(2) atom to form a mixture of distorted corner and edge-sharing CY5Re octahedra. The corner-sharing octahedral tilt angles range from 9-47°.