The compound described by 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°. is represented by the CIF card [CIF]
data_TmAgS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.040
_cell_length_b   7.040
_cell_length_c   7.040
_cell_angle_alpha   135.361
_cell_angle_beta   135.361
_cell_angle_gamma   64.970
_symmetry_Int_Tables_number   1
_cell_volume   169.823
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Tm  Tm0  1  0.754  0.254  0.500  1.0
  Tm  Tm1  1  0.004  0.004  0.000  1.0
  Ag  Ag2  1  0.216  0.716  0.500  1.0
  Ag  Ag3  1  0.466  0.466  0.000  1.0
  S  S4  1  0.984  0.484  0.500  1.0
  S  S5  1  0.234  0.234  0.000  1.0
  S  S6  1  0.530  0.030  0.500  1.0
  S  S7  1  0.780  0.780  0.000  1.0
[/CIF]
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The compound described by 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°. is represented by the CIF card [CIF]
data_TmAgS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.040
_cell_length_b   7.040
_cell_length_c   7.040
_cell_angle_alpha   135.361
_cell_angle_beta   135.361
_cell_angle_gamma   64.970
_symmetry_Int_Tables_number   1
_cell_volume   169.823
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Tm  Tm0  1  0.754  0.254  0.500  1.0
  Tm  Tm1  1  0.004  0.004  0.000  1.0
  Ag  Ag2  1  0.216  0.716  0.500  1.0
  Ag  Ag3  1  0.466  0.466  0.000  1.0
  S  S4  1  0.984  0.484  0.500  1.0
  S  S5  1  0.234  0.234  0.000  1.0
  S  S6  1  0.530  0.030  0.500  1.0
  S  S7  1  0.780  0.780  0.000  1.0
[/CIF]
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