La12Re5C15 crystallizes in the hexagonal P-62m space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a rectangular see-saw-like geometry to two equivalent C(2) and two equivalent C(4) atoms. In the second La site, La(2) is bonded to one C(1), one C(2), two equivalent C(3), and two equivalent C(4) atoms to form a mixture of distorted corner and edge-sharing LaC6 square pyramids. In the third La site, La(3) is bonded in a 8-coordinate geometry to two equivalent C(1), two equivalent C(3), and four equivalent C(4) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 3-coordinate geometry to one C(1) and two equivalent C(2) atoms. In the second Re site, Re(2) is bonded in a trigonal planar geometry to three equivalent C(4) atoms. There are four inequivalent C sites. In the first C site, C(1) is bonded in a 6-coordinate geometry to two equivalent La(2), two equivalent La(3), one Re(1), and one C(3) atom. In the second C site, C(2) is bonded to two equivalent La(1), two equivalent La(2), and two equivalent Re(1) atoms to form CLa4Re2 octahedra that share corners with four equivalent C(2)La4Re2 octahedra and edges with four equivalent C(4)La5Re octahedra. The corner-sharing octahedral tilt angles range from 1-32°. In the third C site, C(3) is bonded in a 7-coordinate geometry to two equivalent La(3), four equivalent La(2), and one C(1) atom. In the fourth C site, C(4) is bonded to one La(1), two equivalent La(2), two equivalent La(3), and one Re(2) atom to form distorted CLa5Re octahedra that share corners with five equivalent C(4)La5Re octahedra, edges with two equivalent C(2)La4Re2 octahedra, and edges with three equivalent C(4)La5Re octahedra. The corner-sharing octahedral tilt angles range from 10-37°.
La12Re5C15 crystallizes in the hexagonal P-62m space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a rectangular see-saw-like geometry to two equivalent C(2) and two equivalent C(4) atoms. Both La(1)-C(2) bond lengths are 2.74 Å. Both La(1)-C(4) bond lengths are 2.73 Å. In the second La site, La(2) is bonded to one C(1), one C(2), two equivalent C(3), and two equivalent C(4) atoms to form a mixture of distorted corner and edge-sharing LaC6 square pyramids. The La(2)-C(1) bond length is 2.62 Å. The La(2)-C(2) bond length is 2.56 Å. There is one shorter (2.80 Å) and one longer (2.96 Å) La(2)-C(3) bond length. Both La(2)-C(4) bond lengths are 2.75 Å. In the third La site, La(3) is bonded in a 8-coordinate geometry to two equivalent C(1), two equivalent C(3), and four equivalent C(4) atoms. Both La(3)-C(1) bond lengths are 2.93 Å. Both La(3)-C(3) bond lengths are 2.75 Å. There are two shorter (2.87 Å) and two longer (2.96 Å) La(3)-C(4) bond lengths. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 3-coordinate geometry to one C(1) and two equivalent C(2) atoms. The Re(1)-C(1) bond length is 1.93 Å. Both Re(1)-C(2) bond lengths are 2.05 Å. In the second Re site, Re(2) is bonded in a trigonal planar geometry to three equivalent C(4) atoms. All Re(2)-C(4) bond lengths are 1.90 Å. There are four inequivalent C sites. In the first C site, C(1) is bonded in a 6-coordinate geometry to two equivalent La(2), two equivalent La(3), one Re(1), and one C(3) atom. The C(1)-C(3) bond length is 1.36 Å. In the second C site, C(2) is bonded to two equivalent La(1), two equivalent La(2), and two equivalent Re(1) atoms to form CLa4Re2 octahedra that share corners with four equivalent C(2)La4Re2 octahedra and edges with four equivalent C(4)La5Re octahedra. The corner-sharing octahedral tilt angles range from 1-32°. In the third C site, C(3) is bonded in a 7-coordinate geometry to two equivalent La(3), four equivalent La(2), and one C(1) atom. In the fourth C site, C(4) is bonded to one La(1), two equivalent La(2), two equivalent La(3), and one Re(2) atom to form distorted CLa5Re octahedra that share corners with five equivalent C(4)La5Re octahedra, edges with two equivalent C(2)La4Re2 octahedra, and edges with three equivalent C(4)La5Re octahedra. The corner-sharing octahedral tilt angles range from 10-37°.