Nb2V3(Cu3S4)5 is Sulvanite-derived structured and crystallizes in the tetragonal P-42m space group. Nb(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form distorted NbS4 tetrahedra that share  an edgeedge with one Cu(1)S4 tetrahedra,  an edgeedge with one Cu(2)S4 tetrahedra, and edges with four equivalent Cu(4)S4 tetrahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent S(3) and two equivalent S(5) atoms to form VS4 tetrahedra that share  an edgeedge with one Cu(2)S4 tetrahedra,  an edgeedge with one Cu(3)S4 tetrahedra, and edges with four equivalent Cu(5)S4 tetrahedra. In the second V site, V(2) is bonded to four equivalent S(4) atoms to form VS4 tetrahedra that share edges with two equivalent Cu(3)S4 tetrahedra and edges with four equivalent Cu(6)S4 tetrahedra. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent S(1) atoms to form distorted CuS4 tetrahedra that share corners with eight equivalent Cu(4)S4 tetrahedra and edges with two equivalent Nb(1)S4 tetrahedra. In the second Cu site, Cu(2) is bonded to two equivalent S(2) and two equivalent S(5) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Cu(4)S4 tetrahedra, corners with four equivalent Cu(5)S4 tetrahedra,  an edgeedge with one Nb(1)S4 tetrahedra, and  an edgeedge with one V(1)S4 tetrahedra. In the third Cu site, Cu(3) is bonded to two equivalent S(3) and two equivalent S(4) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Cu(5)S4 tetrahedra, corners with four equivalent Cu(6)S4 tetrahedra,  an edgeedge with one V(1)S4 tetrahedra, and  an edgeedge with one V(2)S4 tetrahedra. In the fourth Cu site, Cu(4) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form distorted CuS4 tetrahedra that share corners with two equivalent Cu(1)S4 tetrahedra, corners with two equivalent Cu(2)S4 tetrahedra, corners with four equivalent Cu(4)S4 tetrahedra, and edges with two equivalent Nb(1)S4 tetrahedra. In the fifth Cu site, Cu(5) is bonded to two equivalent S(3) and two equivalent S(5) atoms to form distorted CuS4 tetrahedra that share corners with two equivalent Cu(2)S4 tetrahedra, corners with two equivalent Cu(3)S4 tetrahedra, corners with four equivalent Cu(5)S4 tetrahedra, and edges with two equivalent V(1)S4 tetrahedra. In the sixth Cu site, Cu(6) is bonded to four equivalent S(4) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Cu(3)S4 tetrahedra, corners with four equivalent Cu(6)S4 tetrahedra, and edges with two equivalent V(2)S4 tetrahedra. There are five inequivalent S sites. In the first S site, S(1) is bonded to one Nb(1), one Cu(1), and two equivalent Cu(4) atoms to form a mixture of corner and edge-sharing SNbCu3 tetrahedra. In the second S site, S(2) is bonded to one Nb(1), one Cu(2), and two equivalent Cu(4) atoms to form SNbCu3 tetrahedra that share corners with two equivalent S(1)NbCu3 tetrahedra, corners with two equivalent S(2)NbCu3 tetrahedra, corners with two equivalent S(5)VCu3 tetrahedra,  an edgeedge with one S(2)NbCu3 tetrahedra, and edges with two equivalent S(1)NbCu3 tetrahedra. In the third S site, S(3) is bonded to one V(1), one Cu(3), and two equivalent Cu(5) atoms to form a mixture of distorted corner and edge-sharing SVCu3 tetrahedra. In the fourth S site, S(4) is bonded to one V(2), one Cu(3), and two equivalent Cu(6) atoms to form a mixture of distorted corner and edge-sharing SVCu3 tetrahedra. In the fifth S site, S(5) is bonded to one V(1), one Cu(2), and two equivalent Cu(5) atoms to form distorted SVCu3 tetrahedra that share corners with two equivalent S(2)NbCu3 tetrahedra, corners with two equivalent S(3)VCu3 tetrahedra, corners with two equivalent S(5)VCu3 tetrahedra,  an edgeedge with one S(5)VCu3 tetrahedra, and edges with two equivalent S(3)VCu3 tetrahedra.
Nb2V3(Cu3S4)5 is Sulvanite-derived structured and crystallizes in the tetragonal P-42m space group. Nb(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form distorted NbS4 tetrahedra that share  an edgeedge with one Cu(1)S4 tetrahedra,  an edgeedge with one Cu(2)S4 tetrahedra, and edges with four equivalent Cu(4)S4 tetrahedra. Both Nb(1)-S(1) bond lengths are 2.33 Å. Both Nb(1)-S(2) bond lengths are 2.33 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent S(3) and two equivalent S(5) atoms to form VS4 tetrahedra that share  an edgeedge with one Cu(2)S4 tetrahedra,  an edgeedge with one Cu(3)S4 tetrahedra, and edges with four equivalent Cu(5)S4 tetrahedra. Both V(1)-S(3) bond lengths are 2.22 Å. Both V(1)-S(5) bond lengths are 2.22 Å. In the second V site, V(2) is bonded to four equivalent S(4) atoms to form VS4 tetrahedra that share edges with two equivalent Cu(3)S4 tetrahedra and edges with four equivalent Cu(6)S4 tetrahedra. All V(2)-S(4) bond lengths are 2.22 Å. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent S(1) atoms to form distorted CuS4 tetrahedra that share corners with eight equivalent Cu(4)S4 tetrahedra and edges with two equivalent Nb(1)S4 tetrahedra. All Cu(1)-S(1) bond lengths are 2.35 Å. In the second Cu site, Cu(2) is bonded to two equivalent S(2) and two equivalent S(5) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Cu(4)S4 tetrahedra, corners with four equivalent Cu(5)S4 tetrahedra,  an edgeedge with one Nb(1)S4 tetrahedra, and  an edgeedge with one V(1)S4 tetrahedra. Both Cu(2)-S(2) bond lengths are 2.37 Å. Both Cu(2)-S(5) bond lengths are 2.30 Å. In the third Cu site, Cu(3) is bonded to two equivalent S(3) and two equivalent S(4) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Cu(5)S4 tetrahedra, corners with four equivalent Cu(6)S4 tetrahedra,  an edgeedge with one V(1)S4 tetrahedra, and  an edgeedge with one V(2)S4 tetrahedra. Both Cu(3)-S(3) bond lengths are 2.32 Å. Both Cu(3)-S(4) bond lengths are 2.32 Å. In the fourth Cu site, Cu(4) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form distorted CuS4 tetrahedra that share corners with two equivalent Cu(1)S4 tetrahedra, corners with two equivalent Cu(2)S4 tetrahedra, corners with four equivalent Cu(4)S4 tetrahedra, and edges with two equivalent Nb(1)S4 tetrahedra. Both Cu(4)-S(1) bond lengths are 2.35 Å. Both Cu(4)-S(2) bond lengths are 2.35 Å. In the fifth Cu site, Cu(5) is bonded to two equivalent S(3) and two equivalent S(5) atoms to form distorted CuS4 tetrahedra that share corners with two equivalent Cu(2)S4 tetrahedra, corners with two equivalent Cu(3)S4 tetrahedra, corners with four equivalent Cu(5)S4 tetrahedra, and edges with two equivalent V(1)S4 tetrahedra. Both Cu(5)-S(3) bond lengths are 2.32 Å. Both Cu(5)-S(5) bond lengths are 2.32 Å. In the sixth Cu site, Cu(6) is bonded to four equivalent S(4) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Cu(3)S4 tetrahedra, corners with four equivalent Cu(6)S4 tetrahedra, and edges with two equivalent V(2)S4 tetrahedra. All Cu(6)-S(4) bond lengths are 2.32 Å. There are five inequivalent S sites. In the first S site, S(1) is bonded to one Nb(1), one Cu(1), and two equivalent Cu(4) atoms to form a mixture of corner and edge-sharing SNbCu3 tetrahedra. In the second S site, S(2) is bonded to one Nb(1), one Cu(2), and two equivalent Cu(4) atoms to form SNbCu3 tetrahedra that share corners with two equivalent S(1)NbCu3 tetrahedra, corners with two equivalent S(2)NbCu3 tetrahedra, corners with two equivalent S(5)VCu3 tetrahedra,  an edgeedge with one S(2)NbCu3 tetrahedra, and edges with two equivalent S(1)NbCu3 tetrahedra. In the third S site, S(3) is bonded to one V(1), one Cu(3), and two equivalent Cu(5) atoms to form a mixture of distorted corner and edge-sharing SVCu3 tetrahedra. In the fourth S site, S(4) is bonded to one V(2), one Cu(3), and two equivalent Cu(6) atoms to form a mixture of distorted corner and edge-sharing SVCu3 tetrahedra. In the fifth S site, S(5) is bonded to one V(1), one Cu(2), and two equivalent Cu(5) atoms to form distorted SVCu3 tetrahedra that share corners with two equivalent S(2)NbCu3 tetrahedra, corners with two equivalent S(3)VCu3 tetrahedra, corners with two equivalent S(5)VCu3 tetrahedra,  an edgeedge with one S(5)VCu3 tetrahedra, and edges with two equivalent S(3)VCu3 tetrahedra.