TmAgS2 crystallizes in the tetragonal I4_1md space group. Tm(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form TmS6 octahedra that share corners with four equivalent Tm(1)S6 octahedra, corners with three equivalent Ag(1)S5 trigonal bipyramids, edges with four equivalent Tm(1)S6 octahedra, and edges with six equivalent Ag(1)S5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 10-13°. Ag(1) is bonded to two equivalent S(2) and three equivalent S(1) atoms to form AgS5 trigonal bipyramids that share corners with three equivalent Tm(1)S6 octahedra, corners with eight equivalent Ag(1)S5 trigonal bipyramids, and edges with six equivalent Tm(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-74°. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Tm(1) and three equivalent Ag(1) atoms to form STm3Ag3 octahedra that share corners with four equivalent S(1)Tm3Ag3 octahedra, corners with three equivalent S(2)Tm3Ag2 trigonal bipyramids, edges with four equivalent S(1)Tm3Ag3 octahedra, and edges with six equivalent S(2)Tm3Ag2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 9-10°. In the second S site, S(2) is bonded to three equivalent Tm(1) and two equivalent Ag(1) atoms to form STm3Ag2 trigonal bipyramids that share corners with three equivalent S(1)Tm3Ag3 octahedra, corners with eight equivalent S(2)Tm3Ag2 trigonal bipyramids, and edges with six equivalent S(1)Tm3Ag3 octahedra. The corner-sharing octahedral tilt angles range from 0-74°.
TmAgS2 crystallizes in the tetragonal I4_1md space group. Tm(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form TmS6 octahedra that share corners with four equivalent Tm(1)S6 octahedra, corners with three equivalent Ag(1)S5 trigonal bipyramids, edges with four equivalent Tm(1)S6 octahedra, and edges with six equivalent Ag(1)S5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 10-13°. There are two shorter (2.68 Å) and one longer (2.73 Å) Tm(1)-S(1) bond length. There is one shorter (2.67 Å) and two longer (2.69 Å) Tm(1)-S(2) bond lengths. Ag(1) is bonded to two equivalent S(2) and three equivalent S(1) atoms to form AgS5 trigonal bipyramids that share corners with three equivalent Tm(1)S6 octahedra, corners with eight equivalent Ag(1)S5 trigonal bipyramids, and edges with six equivalent Tm(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-74°. Both Ag(1)-S(2) bond lengths are 2.78 Å. There are two shorter (2.68 Å) and one longer (2.76 Å) Ag(1)-S(1) bond length. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Tm(1) and three equivalent Ag(1) atoms to form STm3Ag3 octahedra that share corners with four equivalent S(1)Tm3Ag3 octahedra, corners with three equivalent S(2)Tm3Ag2 trigonal bipyramids, edges with four equivalent S(1)Tm3Ag3 octahedra, and edges with six equivalent S(2)Tm3Ag2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 9-10°. In the second S site, S(2) is bonded to three equivalent Tm(1) and two equivalent Ag(1) atoms to form STm3Ag2 trigonal bipyramids that share corners with three equivalent S(1)Tm3Ag3 octahedra, corners with eight equivalent S(2)Tm3Ag2 trigonal bipyramids, and edges with six equivalent S(1)Tm3Ag3 octahedra. The corner-sharing octahedral tilt angles range from 0-74°.