Ag3In3(HgTe4)2 is Stannite-like structured and crystallizes in the tetragonal P-4 space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to two equivalent Te(1) and two equivalent Te(2) atoms to form AgTe4 tetrahedra that share corners with two equivalent Ag(2)Te4 tetrahedra, corners with two equivalent Hg(1)Te4 tetrahedra, corners with two equivalent Hg(2)Te4 tetrahedra, corners with two equivalent In(2)Te4 tetrahedra, and corners with four equivalent In(1)Te4 tetrahedra. In the second Ag site, Ag(2) is bonded to four equivalent Te(2) atoms to form AgTe4 tetrahedra that share corners with four equivalent Ag(1)Te4 tetrahedra, corners with four equivalent In(1)Te4 tetrahedra, and corners with four equivalent In(2)Te4 tetrahedra. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to four equivalent Te(1) atoms to form HgTe4 tetrahedra that share corners with four equivalent Ag(1)Te4 tetrahedra, corners with four equivalent Hg(2)Te4 tetrahedra, and corners with four equivalent In(1)Te4 tetrahedra. In the second Hg site, Hg(2) is bonded to four equivalent Te(1) atoms to form HgTe4 tetrahedra that share corners with four equivalent Ag(1)Te4 tetrahedra, corners with four equivalent Hg(1)Te4 tetrahedra, and corners with four equivalent In(1)Te4 tetrahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent Te(1) and two equivalent Te(2) atoms to form InTe4 tetrahedra that share corners with two equivalent Ag(2)Te4 tetrahedra, corners with two equivalent Hg(1)Te4 tetrahedra, corners with two equivalent Hg(2)Te4 tetrahedra, corners with two equivalent In(2)Te4 tetrahedra, and corners with four equivalent Ag(1)Te4 tetrahedra. In the second In site, In(2) is bonded to four equivalent Te(2) atoms to form InTe4 tetrahedra that share corners with four equivalent Ag(1)Te4 tetrahedra, corners with four equivalent Ag(2)Te4 tetrahedra, and corners with four equivalent In(1)Te4 tetrahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Ag(1), one Hg(1), one Hg(2), and one In(1) atom to form TeInAgHg2 tetrahedra that share corners with four equivalent Te(2)In2Ag2 tetrahedra and corners with eight equivalent Te(1)InAgHg2 tetrahedra. In the second Te site, Te(2) is bonded to one Ag(1), one Ag(2), one In(1), and one In(2) atom to form TeIn2Ag2 tetrahedra that share corners with four equivalent Te(1)InAgHg2 tetrahedra and corners with eight equivalent Te(2)In2Ag2 tetrahedra.
Ag3In3(HgTe4)2 is Stannite-like structured and crystallizes in the tetragonal P-4 space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to two equivalent Te(1) and two equivalent Te(2) atoms to form AgTe4 tetrahedra that share corners with two equivalent Ag(2)Te4 tetrahedra, corners with two equivalent Hg(1)Te4 tetrahedra, corners with two equivalent Hg(2)Te4 tetrahedra, corners with two equivalent In(2)Te4 tetrahedra, and corners with four equivalent In(1)Te4 tetrahedra. Both Ag(1)-Te(1) bond lengths are 2.80 Å. Both Ag(1)-Te(2) bond lengths are 2.83 Å. In the second Ag site, Ag(2) is bonded to four equivalent Te(2) atoms to form AgTe4 tetrahedra that share corners with four equivalent Ag(1)Te4 tetrahedra, corners with four equivalent In(1)Te4 tetrahedra, and corners with four equivalent In(2)Te4 tetrahedra. All Ag(2)-Te(2) bond lengths are 2.82 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to four equivalent Te(1) atoms to form HgTe4 tetrahedra that share corners with four equivalent Ag(1)Te4 tetrahedra, corners with four equivalent Hg(2)Te4 tetrahedra, and corners with four equivalent In(1)Te4 tetrahedra. All Hg(1)-Te(1) bond lengths are 2.88 Å. In the second Hg site, Hg(2) is bonded to four equivalent Te(1) atoms to form HgTe4 tetrahedra that share corners with four equivalent Ag(1)Te4 tetrahedra, corners with four equivalent Hg(1)Te4 tetrahedra, and corners with four equivalent In(1)Te4 tetrahedra. All Hg(2)-Te(1) bond lengths are 2.87 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent Te(1) and two equivalent Te(2) atoms to form InTe4 tetrahedra that share corners with two equivalent Ag(2)Te4 tetrahedra, corners with two equivalent Hg(1)Te4 tetrahedra, corners with two equivalent Hg(2)Te4 tetrahedra, corners with two equivalent In(2)Te4 tetrahedra, and corners with four equivalent Ag(1)Te4 tetrahedra. Both In(1)-Te(1) bond lengths are 2.85 Å. Both In(1)-Te(2) bond lengths are 2.87 Å. In the second In site, In(2) is bonded to four equivalent Te(2) atoms to form InTe4 tetrahedra that share corners with four equivalent Ag(1)Te4 tetrahedra, corners with four equivalent Ag(2)Te4 tetrahedra, and corners with four equivalent In(1)Te4 tetrahedra. All In(2)-Te(2) bond lengths are 2.88 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Ag(1), one Hg(1), one Hg(2), and one In(1) atom to form TeInAgHg2 tetrahedra that share corners with four equivalent Te(2)In2Ag2 tetrahedra and corners with eight equivalent Te(1)InAgHg2 tetrahedra. In the second Te site, Te(2) is bonded to one Ag(1), one Ag(2), one In(1), and one In(2) atom to form TeIn2Ag2 tetrahedra that share corners with four equivalent Te(1)InAgHg2 tetrahedra and corners with eight equivalent Te(2)In2Ag2 tetrahedra.