NbAl2(SeCl4)2 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two NbAl2(SeCl4)2 clusters. Nb(1) is bonded in a 8-coordinate geometry to two equivalent Se(1), two equivalent Se(2), one Cl(3), one Cl(4), one Cl(6), and one Cl(8) atom. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a tetrahedral geometry to one Cl(1), one Cl(2), one Cl(3), and one Cl(4) atom. In the second Al site, Al(2) is bonded in a tetrahedral geometry to one Cl(5), one Cl(6), one Cl(7), and one Cl(8) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 3-coordinate geometry to two equivalent Nb(1) and one Se(2) atom. In the second Se site, Se(2) is bonded in a 3-coordinate geometry to two equivalent Nb(1) and one Se(1) atom. There are eight inequivalent Cl sites. In the first Cl site, Cl(4) is bonded in an L-shaped geometry to one Nb(1) and one Al(1) atom. In the second Cl site, Cl(5) is bonded in a single-bond geometry to one Al(2) atom. In the third Cl site, Cl(6) is bonded in an L-shaped geometry to one Nb(1) and one Al(2) atom. In the fourth Cl site, Cl(7) is bonded in a single-bond geometry to one Al(2) atom. In the fifth Cl site, Cl(8) is bonded in an L-shaped geometry to one Nb(1) and one Al(2) atom. In the sixth Cl site, Cl(1) is bonded in a single-bond geometry to one Al(1) atom. In the seventh Cl site, Cl(2) is bonded in a single-bond geometry to one Al(1) atom. In the eighth Cl site, Cl(3) is bonded in an L-shaped geometry to one Nb(1) and one Al(1) atom.
NbAl2(SeCl4)2 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two NbAl2(SeCl4)2 clusters. Nb(1) is bonded in a 8-coordinate geometry to two equivalent Se(1), two equivalent Se(2), one Cl(3), one Cl(4), one Cl(6), and one Cl(8) atom. There is one shorter (2.64 Å) and one longer (2.65 Å) Nb(1)-Se(1) bond length. There is one shorter (2.64 Å) and one longer (2.65 Å) Nb(1)-Se(2) bond length. The Nb(1)-Cl(3) bond length is 2.67 Å. The Nb(1)-Cl(4) bond length is 2.66 Å. The Nb(1)-Cl(6) bond length is 2.65 Å. The Nb(1)-Cl(8) bond length is 2.68 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a tetrahedral geometry to one Cl(1), one Cl(2), one Cl(3), and one Cl(4) atom. The Al(1)-Cl(1) bond length is 2.11 Å. The Al(1)-Cl(2) bond length is 2.10 Å. The Al(1)-Cl(3) bond length is 2.23 Å. The Al(1)-Cl(4) bond length is 2.25 Å. In the second Al site, Al(2) is bonded in a tetrahedral geometry to one Cl(5), one Cl(6), one Cl(7), and one Cl(8) atom. The Al(2)-Cl(5) bond length is 2.11 Å. The Al(2)-Cl(6) bond length is 2.24 Å. The Al(2)-Cl(7) bond length is 2.11 Å. The Al(2)-Cl(8) bond length is 2.22 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 3-coordinate geometry to two equivalent Nb(1) and one Se(2) atom. The Se(1)-Se(2) bond length is 2.33 Å. In the second Se site, Se(2) is bonded in a 3-coordinate geometry to two equivalent Nb(1) and one Se(1) atom. There are eight inequivalent Cl sites. In the first Cl site, Cl(4) is bonded in an L-shaped geometry to one Nb(1) and one Al(1) atom. In the second Cl site, Cl(5) is bonded in a single-bond geometry to one Al(2) atom. In the third Cl site, Cl(6) is bonded in an L-shaped geometry to one Nb(1) and one Al(2) atom. In the fourth Cl site, Cl(7) is bonded in a single-bond geometry to one Al(2) atom. In the fifth Cl site, Cl(8) is bonded in an L-shaped geometry to one Nb(1) and one Al(2) atom. In the sixth Cl site, Cl(1) is bonded in a single-bond geometry to one Al(1) atom. In the seventh Cl site, Cl(2) is bonded in a single-bond geometry to one Al(1) atom. In the eighth Cl site, Cl(3) is bonded in an L-shaped geometry to one Nb(1) and one Al(1) atom.