Ag2BiSb(TeSe)2 is Caswellsilverite-derived structured and crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one Te(1), two equivalent Te(2), one Se(1), and two equivalent Se(2) atoms to form AgTe3Se3 octahedra that share corners with two equivalent Sb(1)Te3Se3 octahedra, corners with four equivalent Ag(1)Te3Se3 octahedra, edges with four equivalent Ag(2)Te3Se3 octahedra, edges with four equivalent Bi(1)Te3Se3 octahedra, and edges with four equivalent Sb(1)Te3Se3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Ag site, Ag(2) is bonded to one Te(2), two equivalent Te(1), one Se(2), and two equivalent Se(1) atoms to form AgTe3Se3 octahedra that share corners with two equivalent Bi(1)Te3Se3 octahedra, corners with four equivalent Ag(2)Te3Se3 octahedra, edges with four equivalent Ag(1)Te3Se3 octahedra, edges with four equivalent Bi(1)Te3Se3 octahedra, and edges with four equivalent Sb(1)Te3Se3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Bi(1) is bonded to one Te(2), two equivalent Te(1), one Se(2), and two equivalent Se(1) atoms to form distorted BiTe3Se3 octahedra that share corners with two equivalent Ag(2)Te3Se3 octahedra, corners with four equivalent Bi(1)Te3Se3 octahedra, edges with four equivalent Ag(1)Te3Se3 octahedra, edges with four equivalent Ag(2)Te3Se3 octahedra, and edges with four equivalent Sb(1)Te3Se3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. Sb(1) is bonded to one Te(1), two equivalent Te(2), one Se(1), and two equivalent Se(2) atoms to form distorted SbTe3Se3 octahedra that share corners with two equivalent Ag(1)Te3Se3 octahedra, corners with four equivalent Sb(1)Te3Se3 octahedra, edges with four equivalent Ag(1)Te3Se3 octahedra, edges with four equivalent Ag(2)Te3Se3 octahedra, and edges with four equivalent Bi(1)Te3Se3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Ag(1), two equivalent Ag(2), two equivalent Bi(1), and one Sb(1) atom to form TeAg3Bi2Sb octahedra that share corners with two equivalent Se(1)Ag3Bi2Sb octahedra, corners with four equivalent Te(1)Ag3Bi2Sb octahedra, edges with four equivalent Te(2)Ag3BiSb2 octahedra, edges with four equivalent Se(1)Ag3Bi2Sb octahedra, and edges with four equivalent Se(2)Ag3BiSb2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Te site, Te(2) is bonded to one Ag(2), two equivalent Ag(1), one Bi(1), and two equivalent Sb(1) atoms to form TeAg3BiSb2 octahedra that share corners with two equivalent Se(2)Ag3BiSb2 octahedra, corners with four equivalent Te(2)Ag3BiSb2 octahedra, edges with four equivalent Te(1)Ag3Bi2Sb octahedra, edges with four equivalent Se(1)Ag3Bi2Sb octahedra, and edges with four equivalent Se(2)Ag3BiSb2 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one Ag(1), two equivalent Ag(2), two equivalent Bi(1), and one Sb(1) atom to form SeAg3Bi2Sb octahedra that share corners with two equivalent Te(1)Ag3Bi2Sb octahedra, corners with four equivalent Se(1)Ag3Bi2Sb octahedra, edges with four equivalent Te(1)Ag3Bi2Sb octahedra, edges with four equivalent Te(2)Ag3BiSb2 octahedra, and edges with four equivalent Se(2)Ag3BiSb2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second Se site, Se(2) is bonded to one Ag(2), two equivalent Ag(1), one Bi(1), and two equivalent Sb(1) atoms to form SeAg3BiSb2 octahedra that share corners with two equivalent Te(2)Ag3BiSb2 octahedra, corners with four equivalent Se(2)Ag3BiSb2 octahedra, edges with four equivalent Te(1)Ag3Bi2Sb octahedra, edges with four equivalent Te(2)Ag3BiSb2 octahedra, and edges with four equivalent Se(1)Ag3Bi2Sb octahedra. The corner-sharing octahedral tilt angles range from 0-5°.
Ag2BiSb(TeSe)2 is Caswellsilverite-derived structured and crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one Te(1), two equivalent Te(2), one Se(1), and two equivalent Se(2) atoms to form AgTe3Se3 octahedra that share corners with two equivalent Sb(1)Te3Se3 octahedra, corners with four equivalent Ag(1)Te3Se3 octahedra, edges with four equivalent Ag(2)Te3Se3 octahedra, edges with four equivalent Bi(1)Te3Se3 octahedra, and edges with four equivalent Sb(1)Te3Se3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. The Ag(1)-Te(1) bond length is 2.99 Å. Both Ag(1)-Te(2) bond lengths are 3.03 Å. The Ag(1)-Se(1) bond length is 3.03 Å. Both Ag(1)-Se(2) bond lengths are 3.01 Å. In the second Ag site, Ag(2) is bonded to one Te(2), two equivalent Te(1), one Se(2), and two equivalent Se(1) atoms to form AgTe3Se3 octahedra that share corners with two equivalent Bi(1)Te3Se3 octahedra, corners with four equivalent Ag(2)Te3Se3 octahedra, edges with four equivalent Ag(1)Te3Se3 octahedra, edges with four equivalent Bi(1)Te3Se3 octahedra, and edges with four equivalent Sb(1)Te3Se3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. The Ag(2)-Te(2) bond length is 2.96 Å. Both Ag(2)-Te(1) bond lengths are 3.00 Å. The Ag(2)-Se(2) bond length is 2.92 Å. Both Ag(2)-Se(1) bond lengths are 3.03 Å. Bi(1) is bonded to one Te(2), two equivalent Te(1), one Se(2), and two equivalent Se(1) atoms to form distorted BiTe3Se3 octahedra that share corners with two equivalent Ag(2)Te3Se3 octahedra, corners with four equivalent Bi(1)Te3Se3 octahedra, edges with four equivalent Ag(1)Te3Se3 octahedra, edges with four equivalent Ag(2)Te3Se3 octahedra, and edges with four equivalent Sb(1)Te3Se3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. The Bi(1)-Te(2) bond length is 3.22 Å. Both Bi(1)-Te(1) bond lengths are 3.03 Å. The Bi(1)-Se(2) bond length is 2.86 Å. Both Bi(1)-Se(1) bond lengths are 3.01 Å. Sb(1) is bonded to one Te(1), two equivalent Te(2), one Se(1), and two equivalent Se(2) atoms to form distorted SbTe3Se3 octahedra that share corners with two equivalent Ag(1)Te3Se3 octahedra, corners with four equivalent Sb(1)Te3Se3 octahedra, edges with four equivalent Ag(1)Te3Se3 octahedra, edges with four equivalent Ag(2)Te3Se3 octahedra, and edges with four equivalent Bi(1)Te3Se3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. The Sb(1)-Te(1) bond length is 3.18 Å. Both Sb(1)-Te(2) bond lengths are 3.01 Å. The Sb(1)-Se(1) bond length is 2.77 Å. Both Sb(1)-Se(2) bond lengths are 3.03 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Ag(1), two equivalent Ag(2), two equivalent Bi(1), and one Sb(1) atom to form TeAg3Bi2Sb octahedra that share corners with two equivalent Se(1)Ag3Bi2Sb octahedra, corners with four equivalent Te(1)Ag3Bi2Sb octahedra, edges with four equivalent Te(2)Ag3BiSb2 octahedra, edges with four equivalent Se(1)Ag3Bi2Sb octahedra, and edges with four equivalent Se(2)Ag3BiSb2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Te site, Te(2) is bonded to one Ag(2), two equivalent Ag(1), one Bi(1), and two equivalent Sb(1) atoms to form TeAg3BiSb2 octahedra that share corners with two equivalent Se(2)Ag3BiSb2 octahedra, corners with four equivalent Te(2)Ag3BiSb2 octahedra, edges with four equivalent Te(1)Ag3Bi2Sb octahedra, edges with four equivalent Se(1)Ag3Bi2Sb octahedra, and edges with four equivalent Se(2)Ag3BiSb2 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one Ag(1), two equivalent Ag(2), two equivalent Bi(1), and one Sb(1) atom to form SeAg3Bi2Sb octahedra that share corners with two equivalent Te(1)Ag3Bi2Sb octahedra, corners with four equivalent Se(1)Ag3Bi2Sb octahedra, edges with four equivalent Te(1)Ag3Bi2Sb octahedra, edges with four equivalent Te(2)Ag3BiSb2 octahedra, and edges with four equivalent Se(2)Ag3BiSb2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second Se site, Se(2) is bonded to one Ag(2), two equivalent Ag(1), one Bi(1), and two equivalent Sb(1) atoms to form SeAg3BiSb2 octahedra that share corners with two equivalent Te(2)Ag3BiSb2 octahedra, corners with four equivalent Se(2)Ag3BiSb2 octahedra, edges with four equivalent Te(1)Ag3Bi2Sb octahedra, edges with four equivalent Te(2)Ag3BiSb2 octahedra, and edges with four equivalent Se(1)Ag3Bi2Sb octahedra. The corner-sharing octahedral tilt angles range from 0-5°.