In3Al(CuSe2)4 crystallizes in the triclinic P1 space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one Se(1), one Se(4), one Se(5), and one Se(7) atom. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to one Se(2), one Se(3), and one Se(6) atom. In the third Cu site, Cu(3) is bonded in a 4-coordinate geometry to one Se(1), one Se(4), one Se(5), and one Se(8) atom. In the fourth Cu site, Cu(4) is bonded in a 3-coordinate geometry to one Se(2), one Se(3), one Se(6), and one Se(7) atom. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 3-coordinate geometry to one Se(2), one Se(4), and one Se(7) atom. In the second In site, In(2) is bonded in a 3-coordinate geometry to one Se(4), one Se(5), and one Se(7) atom. In the third In site, In(3) is bonded in a 3-coordinate geometry to one Se(3), one Se(6), and one Se(8) atom. Al(1) is bonded in a 3-coordinate geometry to one Se(1), one Se(3), and one Se(8) atom. There are eight inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one Cu(3), and one Al(1) atom. In the second Se site, Se(2) is bonded in a distorted trigonal non-coplanar geometry to one Cu(2), one Cu(4), and one In(1) atom. In the third Se site, Se(3) is bonded in a 4-coordinate geometry to one Cu(2), one Cu(4), one In(3), and one Al(1) atom. In the fourth Se site, Se(4) is bonded in a 4-coordinate geometry to one Cu(1), one Cu(3), one In(1), and one In(2) atom. In the fifth Se site, Se(5) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(3), and one In(2) atom. In the sixth Se site, Se(6) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(4), and one In(3) atom. In the seventh Se site, Se(7) is bonded in a 4-coordinate geometry to one Cu(1), one Cu(4), one In(1), and one In(2) atom. In the eighth Se site, Se(8) is bonded in a 3-coordinate geometry to one Cu(3), one In(3), and one Al(1) atom.
In3Al(CuSe2)4 crystallizes in the triclinic P1 space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one Se(1), one Se(4), one Se(5), and one Se(7) atom. The Cu(1)-Se(1) bond length is 1.99 Å. The Cu(1)-Se(4) bond length is 2.27 Å. The Cu(1)-Se(5) bond length is 2.74 Å. The Cu(1)-Se(7) bond length is 3.15 Å. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to one Se(2), one Se(3), and one Se(6) atom. The Cu(2)-Se(2) bond length is 2.00 Å. The Cu(2)-Se(3) bond length is 2.27 Å. The Cu(2)-Se(6) bond length is 2.64 Å. In the third Cu site, Cu(3) is bonded in a 4-coordinate geometry to one Se(1), one Se(4), one Se(5), and one Se(8) atom. The Cu(3)-Se(1) bond length is 2.64 Å. The Cu(3)-Se(4) bond length is 3.13 Å. The Cu(3)-Se(5) bond length is 2.32 Å. The Cu(3)-Se(8) bond length is 2.07 Å. In the fourth Cu site, Cu(4) is bonded in a 3-coordinate geometry to one Se(2), one Se(3), one Se(6), and one Se(7) atom. The Cu(4)-Se(2) bond length is 2.60 Å. The Cu(4)-Se(3) bond length is 3.18 Å. The Cu(4)-Se(6) bond length is 2.25 Å. The Cu(4)-Se(7) bond length is 2.07 Å. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 3-coordinate geometry to one Se(2), one Se(4), and one Se(7) atom. The In(1)-Se(2) bond length is 2.42 Å. The In(1)-Se(4) bond length is 2.22 Å. The In(1)-Se(7) bond length is 2.88 Å. In the second In site, In(2) is bonded in a 3-coordinate geometry to one Se(4), one Se(5), and one Se(7) atom. The In(2)-Se(4) bond length is 2.92 Å. The In(2)-Se(5) bond length is 2.21 Å. The In(2)-Se(7) bond length is 2.42 Å. In the third In site, In(3) is bonded in a 3-coordinate geometry to one Se(3), one Se(6), and one Se(8) atom. The In(3)-Se(3) bond length is 2.91 Å. The In(3)-Se(6) bond length is 2.15 Å. The In(3)-Se(8) bond length is 2.48 Å. Al(1) is bonded in a 3-coordinate geometry to one Se(1), one Se(3), and one Se(8) atom. The Al(1)-Se(1) bond length is 2.24 Å. The Al(1)-Se(3) bond length is 2.05 Å. The Al(1)-Se(8) bond length is 2.67 Å. There are eight inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one Cu(3), and one Al(1) atom. In the second Se site, Se(2) is bonded in a distorted trigonal non-coplanar geometry to one Cu(2), one Cu(4), and one In(1) atom. In the third Se site, Se(3) is bonded in a 4-coordinate geometry to one Cu(2), one Cu(4), one In(3), and one Al(1) atom. In the fourth Se site, Se(4) is bonded in a 4-coordinate geometry to one Cu(1), one Cu(3), one In(1), and one In(2) atom. In the fifth Se site, Se(5) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(3), and one In(2) atom. In the sixth Se site, Se(6) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(4), and one In(3) atom. In the seventh Se site, Se(7) is bonded in a 4-coordinate geometry to one Cu(1), one Cu(4), one In(1), and one In(2) atom. In the eighth Se site, Se(8) is bonded in a 3-coordinate geometry to one Cu(3), one In(3), and one Al(1) atom.