The material structure described by Tm2PbS4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to one S(3), two equivalent S(1), and three equivalent S(4) atoms to form a mixture of edge and corner-sharing TmS6 octahedra. The corner-sharing octahedral tilt angles range from 48-61°. In the second Tm site, Tm(2) is bonded to one S(1), two equivalent S(3), and three equivalent S(2) atoms to form a mixture of edge and corner-sharing TmS6 octahedra. The corner-sharing octahedral tilt angles range from 48-61°. Pb(1) is bonded in a 7-coordinate geometry to one S(3), two equivalent S(1), two equivalent S(2), and two equivalent S(4) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Tm(2), two equivalent Tm(1), and two equivalent Pb(1) atoms. In the second S site, S(2) is bonded to three equivalent Tm(2) and two equivalent Pb(1) atoms to form distorted edge-sharing STm3Pb2 square pyramids. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Tm(1), two equivalent Tm(2), and one Pb(1) atom. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to three equivalent Tm(1) and two equivalent Pb(1) atoms. is represented by the CIF file [CIF]
data_Tm2PbS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.918
_cell_length_b   11.957
_cell_length_c   14.183
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   664.450
_cell_formula_units_Z   4
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  0.250  0.438  0.388  1.0
  Tm  Tm1  1  0.250  0.938  0.112  1.0
  Tm  Tm2  1  0.750  0.562  0.612  1.0
  Tm  Tm3  1  0.750  0.062  0.888  1.0
  Tm  Tm4  1  0.250  0.417  0.900  1.0
  Tm  Tm5  1  0.250  0.917  0.600  1.0
  Tm  Tm6  1  0.750  0.583  0.100  1.0
  Tm  Tm7  1  0.750  0.083  0.400  1.0
  Pb  Pb8  1  0.250  0.763  0.337  1.0
  Pb  Pb9  1  0.250  0.263  0.163  1.0
  Pb  Pb10  1  0.750  0.237  0.663  1.0
  Pb  Pb11  1  0.750  0.737  0.837  1.0
  S  S12  1  0.250  0.205  0.832  1.0
  S  S13  1  0.250  0.705  0.668  1.0
  S  S14  1  0.750  0.795  0.168  1.0
  S  S15  1  0.750  0.295  0.332  1.0
  S  S16  1  0.250  0.126  0.529  1.0
  S  S17  1  0.250  0.626  0.971  1.0
  S  S18  1  0.750  0.874  0.471  1.0
  S  S19  1  0.750  0.374  0.029  1.0
  S  S20  1  0.250  0.025  0.285  1.0
  S  S21  1  0.250  0.525  0.215  1.0
  S  S22  1  0.750  0.975  0.715  1.0
  S  S23  1  0.750  0.475  0.785  1.0
  S  S24  1  0.250  0.412  0.575  1.0
  S  S25  1  0.250  0.912  0.925  1.0
  S  S26  1  0.750  0.588  0.425  1.0
  S  S27  1  0.750  0.088  0.075  1.0
[/CIF]
.
The material structure described by Tm2PbS4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to one S(3), two equivalent S(1), and three equivalent S(4) atoms to form a mixture of edge and corner-sharing TmS6 octahedra. The corner-sharing octahedral tilt angles range from 48-61°. In the second Tm site, Tm(2) is bonded to one S(1), two equivalent S(3), and three equivalent S(2) atoms to form a mixture of edge and corner-sharing TmS6 octahedra. The corner-sharing octahedral tilt angles range from 48-61°. Pb(1) is bonded in a 7-coordinate geometry to one S(3), two equivalent S(1), two equivalent S(2), and two equivalent S(4) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Tm(2), two equivalent Tm(1), and two equivalent Pb(1) atoms. In the second S site, S(2) is bonded to three equivalent Tm(2) and two equivalent Pb(1) atoms to form distorted edge-sharing STm3Pb2 square pyramids. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Tm(1), two equivalent Tm(2), and one Pb(1) atom. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to three equivalent Tm(1) and two equivalent Pb(1) atoms. is represented by the CIF file [CIF]
data_Tm2PbS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.918
_cell_length_b   11.957
_cell_length_c   14.183
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   664.450
_cell_formula_units_Z   4
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  0.250  0.438  0.388  1.0
  Tm  Tm1  1  0.250  0.938  0.112  1.0
  Tm  Tm2  1  0.750  0.562  0.612  1.0
  Tm  Tm3  1  0.750  0.062  0.888  1.0
  Tm  Tm4  1  0.250  0.417  0.900  1.0
  Tm  Tm5  1  0.250  0.917  0.600  1.0
  Tm  Tm6  1  0.750  0.583  0.100  1.0
  Tm  Tm7  1  0.750  0.083  0.400  1.0
  Pb  Pb8  1  0.250  0.763  0.337  1.0
  Pb  Pb9  1  0.250  0.263  0.163  1.0
  Pb  Pb10  1  0.750  0.237  0.663  1.0
  Pb  Pb11  1  0.750  0.737  0.837  1.0
  S  S12  1  0.250  0.205  0.832  1.0
  S  S13  1  0.250  0.705  0.668  1.0
  S  S14  1  0.750  0.795  0.168  1.0
  S  S15  1  0.750  0.295  0.332  1.0
  S  S16  1  0.250  0.126  0.529  1.0
  S  S17  1  0.250  0.626  0.971  1.0
  S  S18  1  0.750  0.874  0.471  1.0
  S  S19  1  0.750  0.374  0.029  1.0
  S  S20  1  0.250  0.025  0.285  1.0
  S  S21  1  0.250  0.525  0.215  1.0
  S  S22  1  0.750  0.975  0.715  1.0
  S  S23  1  0.750  0.475  0.785  1.0
  S  S24  1  0.250  0.412  0.575  1.0
  S  S25  1  0.250  0.912  0.925  1.0
  S  S26  1  0.750  0.588  0.425  1.0
  S  S27  1  0.750  0.088  0.075  1.0
[/CIF]
.