NaIn(MoSe)6 crystallizes in the hexagonal P-6 space group. Na(1) is bonded in a trigonal planar geometry to three equivalent Se(1) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a distorted see-saw-like geometry to two equivalent Mo(1), four equivalent Mo(2), two equivalent Se(1), and two equivalent Se(2) atoms. In the second Mo site, Mo(2) is bonded in a distorted see-saw-like geometry to two equivalent Mo(2), four equivalent Mo(1), two equivalent Se(1), and two equivalent Se(2) atoms. In(1) is bonded in a trigonal planar geometry to three equivalent Se(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Mo(1), and two equivalent Mo(2) atoms. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to two equivalent Mo(1), two equivalent Mo(2), and one In(1) atom.
NaIn(MoSe)6 crystallizes in the hexagonal P-6 space group. Na(1) is bonded in a trigonal planar geometry to three equivalent Se(1) atoms. All Na(1)-Se(1) bond lengths are 2.96 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a distorted see-saw-like geometry to two equivalent Mo(1), four equivalent Mo(2), two equivalent Se(1), and two equivalent Se(2) atoms. Both Mo(1)-Mo(1) bond lengths are 2.67 Å. There are two shorter (2.73 Å) and two longer (2.74 Å) Mo(1)-Mo(2) bond lengths. There is one shorter (2.63 Å) and one longer (2.65 Å) Mo(1)-Se(1) bond length. Both Mo(1)-Se(2) bond lengths are 2.71 Å. In the second Mo site, Mo(2) is bonded in a distorted see-saw-like geometry to two equivalent Mo(2), four equivalent Mo(1), two equivalent Se(1), and two equivalent Se(2) atoms. Both Mo(2)-Mo(2) bond lengths are 2.67 Å. Both Mo(2)-Se(1) bond lengths are 2.72 Å. There is one shorter (2.63 Å) and one longer (2.64 Å) Mo(2)-Se(2) bond length. In(1) is bonded in a trigonal planar geometry to three equivalent Se(2) atoms. All In(1)-Se(2) bond lengths are 3.01 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Mo(1), and two equivalent Mo(2) atoms. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to two equivalent Mo(1), two equivalent Mo(2), and one In(1) atom.