AgInTe2 is Enargite-like structured and crystallizes in the trigonal P3m1 space group. There are six inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one Te(7) and three equivalent Te(8) atoms to form corner-sharing AgTe4 tetrahedra. In the second Ag site, Ag(2) is bonded to one Te(6) and three equivalent Te(7) atoms to form AgTe4 trigonal pyramids that share corners with three equivalent Ag(1)Te4 tetrahedra, corners with three equivalent In(5)Te4 tetrahedra, and corners with six equivalent Ag(2)Te4 trigonal pyramids. In the third Ag site, Ag(3) is bonded to one Te(8) and three equivalent Te(9) atoms to form corner-sharing AgTe4 tetrahedra. In the fourth Ag site, Ag(4) is bonded to one Te(10) and three equivalent Te(11) atoms to form corner-sharing AgTe4 tetrahedra. In the fifth Ag site, Ag(5) is bonded to one Te(9) and three equivalent Te(10) atoms to form corner-sharing AgTe4 tetrahedra. In the sixth Ag site, Ag(6) is bonded to one Te(11) and three equivalent Te(12) atoms to form AgTe4 tetrahedra that share corners with three equivalent Ag(4)Te4 tetrahedra, corners with three equivalent In(1)Te4 tetrahedra, and corners with six equivalent Ag(6)Te4 tetrahedra. There are six inequivalent In sites. In the first In site, In(1) is bonded to one Te(12) and three equivalent Te(1) atoms to form InTe4 tetrahedra that share corners with three equivalent Ag(6)Te4 tetrahedra, corners with three equivalent In(2)Te4 tetrahedra, and corners with six equivalent In(1)Te4 tetrahedra. In the second In site, In(2) is bonded to one Te(1) and three equivalent Te(2) atoms to form corner-sharing InTe4 tetrahedra. In the third In site, In(3) is bonded to one Te(2) and three equivalent Te(3) atoms to form corner-sharing InTe4 tetrahedra. In the fourth In site, In(4) is bonded to one Te(3) and three equivalent Te(4) atoms to form corner-sharing InTe4 tetrahedra. In the fifth In site, In(5) is bonded to one Te(5) and three equivalent Te(6) atoms to form InTe4 tetrahedra that share corners with three equivalent In(6)Te4 tetrahedra, corners with six equivalent In(5)Te4 tetrahedra, and corners with three equivalent Ag(2)Te4 trigonal pyramids. In the sixth In site, In(6) is bonded to one Te(4) and three equivalent Te(5) atoms to form corner-sharing InTe4 tetrahedra. There are twelve inequivalent Te sites. In the first Te site, Te(1) is bonded to one In(2) and three equivalent In(1) atoms to form TeIn4 tetrahedra that share corners with three equivalent Te(2)In4 tetrahedra, corners with three equivalent Te(12)InAg3 tetrahedra, and corners with six equivalent Te(1)In4 tetrahedra. In the second Te site, Te(2) is bonded to one In(3) and three equivalent In(2) atoms to form corner-sharing TeIn4 tetrahedra. In the third Te site, Te(3) is bonded to one In(4) and three equivalent In(3) atoms to form corner-sharing TeIn4 tetrahedra. In the fourth Te site, Te(4) is bonded to one In(6) and three equivalent In(4) atoms to form corner-sharing TeIn4 tetrahedra. In the fifth Te site, Te(5) is bonded to one In(5) and three equivalent In(6) atoms to form TeIn4 tetrahedra that share corners with three equivalent Te(6)In3Ag tetrahedra, corners with three equivalent Te(4)In4 tetrahedra, and corners with six equivalent Te(5)In4 tetrahedra. In the sixth Te site, Te(6) is bonded to one Ag(2) and three equivalent In(5) atoms to form TeIn3Ag tetrahedra that share corners with three equivalent Te(5)In4 tetrahedra, corners with six equivalent Te(6)In3Ag tetrahedra, and corners with three equivalent Te(7)Ag4 trigonal pyramids. In the seventh Te site, Te(7) is bonded to one Ag(1) and three equivalent Ag(2) atoms to form TeAg4 trigonal pyramids that share corners with three equivalent Te(8)Ag4 tetrahedra, corners with three equivalent Te(6)In3Ag tetrahedra, and corners with six equivalent Te(7)Ag4 trigonal pyramids. In the eighth Te site, Te(8) is bonded to one Ag(3) and three equivalent Ag(1) atoms to form corner-sharing TeAg4 tetrahedra. In the ninth Te site, Te(9) is bonded to one Ag(5) and three equivalent Ag(3) atoms to form corner-sharing TeAg4 tetrahedra. In the tenth Te site, Te(10) is bonded to one Ag(4) and three equivalent Ag(5) atoms to form corner-sharing TeAg4 tetrahedra. In the eleventh Te site, Te(11) is bonded to one Ag(6) and three equivalent Ag(4) atoms to form TeAg4 tetrahedra that share corners with three equivalent Te(10)Ag4 tetrahedra, corners with three equivalent Te(12)InAg3 tetrahedra, and corners with six equivalent Te(11)Ag4 tetrahedra. In the twelfth Te site, Te(12) is bonded to three equivalent Ag(6) and one In(1) atom to form TeInAg3 tetrahedra that share corners with three equivalent Te(11)Ag4 tetrahedra, corners with three equivalent Te(1)In4 tetrahedra, and corners with six equivalent Te(12)InAg3 tetrahedra.
AgInTe2 is Enargite-like structured and crystallizes in the trigonal P3m1 space group. There are six inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one Te(7) and three equivalent Te(8) atoms to form corner-sharing AgTe4 tetrahedra. The Ag(1)-Te(7) bond length is 2.79 Å. All Ag(1)-Te(8) bond lengths are 2.87 Å. In the second Ag site, Ag(2) is bonded to one Te(6) and three equivalent Te(7) atoms to form AgTe4 trigonal pyramids that share corners with three equivalent Ag(1)Te4 tetrahedra, corners with three equivalent In(5)Te4 tetrahedra, and corners with six equivalent Ag(2)Te4 trigonal pyramids. The Ag(2)-Te(6) bond length is 2.89 Å. All Ag(2)-Te(7) bond lengths are 2.81 Å. In the third Ag site, Ag(3) is bonded to one Te(8) and three equivalent Te(9) atoms to form corner-sharing AgTe4 tetrahedra. The Ag(3)-Te(8) bond length is 2.82 Å. All Ag(3)-Te(9) bond lengths are 2.88 Å. In the fourth Ag site, Ag(4) is bonded to one Te(10) and three equivalent Te(11) atoms to form corner-sharing AgTe4 tetrahedra. The Ag(4)-Te(10) bond length is 2.84 Å. All Ag(4)-Te(11) bond lengths are 2.86 Å. In the fifth Ag site, Ag(5) is bonded to one Te(9) and three equivalent Te(10) atoms to form corner-sharing AgTe4 tetrahedra. The Ag(5)-Te(9) bond length is 2.82 Å. All Ag(5)-Te(10) bond lengths are 2.87 Å. In the sixth Ag site, Ag(6) is bonded to one Te(11) and three equivalent Te(12) atoms to form AgTe4 tetrahedra that share corners with three equivalent Ag(4)Te4 tetrahedra, corners with three equivalent In(1)Te4 tetrahedra, and corners with six equivalent Ag(6)Te4 tetrahedra. The Ag(6)-Te(11) bond length is 2.84 Å. All Ag(6)-Te(12) bond lengths are 2.82 Å. There are six inequivalent In sites. In the first In site, In(1) is bonded to one Te(12) and three equivalent Te(1) atoms to form InTe4 tetrahedra that share corners with three equivalent Ag(6)Te4 tetrahedra, corners with three equivalent In(2)Te4 tetrahedra, and corners with six equivalent In(1)Te4 tetrahedra. The In(1)-Te(12) bond length is 2.75 Å. All In(1)-Te(1) bond lengths are 2.98 Å. In the second In site, In(2) is bonded to one Te(1) and three equivalent Te(2) atoms to form corner-sharing InTe4 tetrahedra. The In(2)-Te(1) bond length is 2.94 Å. All In(2)-Te(2) bond lengths are 2.89 Å. In the third In site, In(3) is bonded to one Te(2) and three equivalent Te(3) atoms to form corner-sharing InTe4 tetrahedra. The In(3)-Te(2) bond length is 2.96 Å. All In(3)-Te(3) bond lengths are 2.86 Å. In the fourth In site, In(4) is bonded to one Te(3) and three equivalent Te(4) atoms to form corner-sharing InTe4 tetrahedra. The In(4)-Te(3) bond length is 2.96 Å. All In(4)-Te(4) bond lengths are 2.87 Å. In the fifth In site, In(5) is bonded to one Te(5) and three equivalent Te(6) atoms to form InTe4 tetrahedra that share corners with three equivalent In(6)Te4 tetrahedra, corners with six equivalent In(5)Te4 tetrahedra, and corners with three equivalent Ag(2)Te4 trigonal pyramids. The In(5)-Te(5) bond length is 2.97 Å. All In(5)-Te(6) bond lengths are 2.93 Å. In the sixth In site, In(6) is bonded to one Te(4) and three equivalent Te(5) atoms to form corner-sharing InTe4 tetrahedra. The In(6)-Te(4) bond length is 2.95 Å. All In(6)-Te(5) bond lengths are 2.89 Å. There are twelve inequivalent Te sites. In the first Te site, Te(1) is bonded to one In(2) and three equivalent In(1) atoms to form TeIn4 tetrahedra that share corners with three equivalent Te(2)In4 tetrahedra, corners with three equivalent Te(12)InAg3 tetrahedra, and corners with six equivalent Te(1)In4 tetrahedra. In the second Te site, Te(2) is bonded to one In(3) and three equivalent In(2) atoms to form corner-sharing TeIn4 tetrahedra. In the third Te site, Te(3) is bonded to one In(4) and three equivalent In(3) atoms to form corner-sharing TeIn4 tetrahedra. In the fourth Te site, Te(4) is bonded to one In(6) and three equivalent In(4) atoms to form corner-sharing TeIn4 tetrahedra. In the fifth Te site, Te(5) is bonded to one In(5) and three equivalent In(6) atoms to form TeIn4 tetrahedra that share corners with three equivalent Te(6)In3Ag tetrahedra, corners with three equivalent Te(4)In4 tetrahedra, and corners with six equivalent Te(5)In4 tetrahedra. In the sixth Te site, Te(6) is bonded to one Ag(2) and three equivalent In(5) atoms to form TeIn3Ag tetrahedra that share corners with three equivalent Te(5)In4 tetrahedra, corners with six equivalent Te(6)In3Ag tetrahedra, and corners with three equivalent Te(7)Ag4 trigonal pyramids. In the seventh Te site, Te(7) is bonded to one Ag(1) and three equivalent Ag(2) atoms to form TeAg4 trigonal pyramids that share corners with three equivalent Te(8)Ag4 tetrahedra, corners with three equivalent Te(6)In3Ag tetrahedra, and corners with six equivalent Te(7)Ag4 trigonal pyramids. In the eighth Te site, Te(8) is bonded to one Ag(3) and three equivalent Ag(1) atoms to form corner-sharing TeAg4 tetrahedra. In the ninth Te site, Te(9) is bonded to one Ag(5) and three equivalent Ag(3) atoms to form corner-sharing TeAg4 tetrahedra. In the tenth Te site, Te(10) is bonded to one Ag(4) and three equivalent Ag(5) atoms to form corner-sharing TeAg4 tetrahedra. In the eleventh Te site, Te(11) is bonded to one Ag(6) and three equivalent Ag(4) atoms to form TeAg4 tetrahedra that share corners with three equivalent Te(10)Ag4 tetrahedra, corners with three equivalent Te(12)InAg3 tetrahedra, and corners with six equivalent Te(11)Ag4 tetrahedra. In the twelfth Te site, Te(12) is bonded to three equivalent Ag(6) and one In(1) atom to form TeInAg3 tetrahedra that share corners with three equivalent Te(11)Ag4 tetrahedra, corners with three equivalent Te(1)In4 tetrahedra, and corners with six equivalent Te(12)InAg3 tetrahedra.