Cu10Hg2Sb4S13 crystallizes in the tetragonal I-42m space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent S(2) and two equivalent S(3) atoms to form corner-sharing CuS4 tetrahedra. In the second Cu site, Cu(2) is bonded to four equivalent S(3) atoms to form corner-sharing CuS4 tetrahedra. In the third Cu site, Cu(3) is bonded in a distorted trigonal planar geometry to one S(1) and two equivalent S(3) atoms. Hg(1) is bonded in a 3-coordinate geometry to one S(1) and two equivalent S(2) atoms. Sb(1) is bonded in a 3-coordinate geometry to one S(2) and two equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to four equivalent Cu(3) and two equivalent Hg(1) atoms to form SCu4Hg2 octahedra that share corners with four equivalent S(2)Cu2HgSb tetrahedra and corners with eight equivalent S(3)Cu3Sb tetrahedra. In the second S site, S(2) is bonded to two equivalent Cu(1), one Hg(1), and one Sb(1) atom to form SCu2HgSb tetrahedra that share  a cornercorner with one S(1)Cu4Hg2 octahedra, corners with three equivalent S(2)Cu2HgSb tetrahedra, and corners with six equivalent S(3)Cu3Sb tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the third S site, S(3) is bonded to one Cu(1), one Cu(2), one Cu(3), and one Sb(1) atom to form SCu3Sb tetrahedra that share  a cornercorner with one S(1)Cu4Hg2 octahedra, corners with three equivalent S(2)Cu2HgSb tetrahedra, and corners with six equivalent S(3)Cu3Sb tetrahedra. The corner-sharing octahedral tilt angles are 50°.
Cu10Hg2Sb4S13 crystallizes in the tetragonal I-42m space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent S(2) and two equivalent S(3) atoms to form corner-sharing CuS4 tetrahedra. Both Cu(1)-S(2) bond lengths are 2.30 Å. Both Cu(1)-S(3) bond lengths are 2.33 Å. In the second Cu site, Cu(2) is bonded to four equivalent S(3) atoms to form corner-sharing CuS4 tetrahedra. All Cu(2)-S(3) bond lengths are 2.31 Å. In the third Cu site, Cu(3) is bonded in a distorted trigonal planar geometry to one S(1) and two equivalent S(3) atoms. The Cu(3)-S(1) bond length is 2.34 Å. Both Cu(3)-S(3) bond lengths are 2.25 Å. Hg(1) is bonded in a 3-coordinate geometry to one S(1) and two equivalent S(2) atoms. The Hg(1)-S(1) bond length is 2.59 Å. Both Hg(1)-S(2) bond lengths are 2.54 Å. Sb(1) is bonded in a 3-coordinate geometry to one S(2) and two equivalent S(3) atoms. The Sb(1)-S(2) bond length is 2.51 Å. Both Sb(1)-S(3) bond lengths are 2.47 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded to four equivalent Cu(3) and two equivalent Hg(1) atoms to form SCu4Hg2 octahedra that share corners with four equivalent S(2)Cu2HgSb tetrahedra and corners with eight equivalent S(3)Cu3Sb tetrahedra. In the second S site, S(2) is bonded to two equivalent Cu(1), one Hg(1), and one Sb(1) atom to form SCu2HgSb tetrahedra that share  a cornercorner with one S(1)Cu4Hg2 octahedra, corners with three equivalent S(2)Cu2HgSb tetrahedra, and corners with six equivalent S(3)Cu3Sb tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the third S site, S(3) is bonded to one Cu(1), one Cu(2), one Cu(3), and one Sb(1) atom to form SCu3Sb tetrahedra that share  a cornercorner with one S(1)Cu4Hg2 octahedra, corners with three equivalent S(2)Cu2HgSb tetrahedra, and corners with six equivalent S(3)Cu3Sb tetrahedra. The corner-sharing octahedral tilt angles are 50°.