The crystal structure described by MgTm2S4 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in a rectangular see-saw-like geometry to one S(2), one S(3), and two equivalent S(1) atoms. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 7-coordinate geometry to one S(2), two equivalent S(3), and four equivalent S(1) atoms. In the second Tm site, Tm(2) is bonded to one S(2), one S(3), and four equivalent S(1) atoms to form distorted edge-sharing TmS6 pentagonal pyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Tm(1), and two equivalent Tm(2) atoms. In the second S site, S(2) is bonded in a T-shaped geometry to one Mg(1), one Tm(1), and one Tm(2) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Tm(2), and two equivalent Tm(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.837
_cell_length_b   7.297
_cell_length_c   11.303
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   646.409
_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  0.045  0.750  0.306  1.0
  Tm  Tm1  1  0.955  0.250  0.694  1.0
  Tm  Tm2  1  0.455  0.250  0.806  1.0
  Tm  Tm3  1  0.545  0.750  0.194  1.0
  Tm  Tm4  1  0.064  0.250  0.015  1.0
  Tm  Tm5  1  0.936  0.750  0.985  1.0
  Tm  Tm6  1  0.436  0.750  0.515  1.0
  Tm  Tm7  1  0.564  0.250  0.485  1.0
  Mg  Mg8  1  0.175  0.250  0.402  1.0
  Mg  Mg9  1  0.825  0.750  0.598  1.0
  Mg  Mg10  1  0.325  0.750  0.902  1.0
  Mg  Mg11  1  0.675  0.250  0.098  1.0
  S  S12  1  0.121  0.505  0.841  1.0
  S  S13  1  0.879  0.495  0.159  1.0
  S  S14  1  0.379  0.495  0.341  1.0
  S  S15  1  0.621  0.505  0.659  1.0
  S  S16  1  0.621  0.995  0.659  1.0
  S  S17  1  0.379  0.005  0.341  1.0
  S  S18  1  0.879  0.005  0.159  1.0
  S  S19  1  0.121  0.995  0.841  1.0
  S  S20  1  0.888  0.250  0.461  1.0
  S  S21  1  0.112  0.750  0.539  1.0
  S  S22  1  0.612  0.750  0.961  1.0
  S  S23  1  0.388  0.250  0.039  1.0
  S  S24  1  0.229  0.750  0.109  1.0
  S  S25  1  0.771  0.250  0.891  1.0
  S  S26  1  0.271  0.250  0.609  1.0
  S  S27  1  0.729  0.750  0.391  1.0
[/CIF]
.
The crystal structure described by MgTm2S4 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in a rectangular see-saw-like geometry to one S(2), one S(3), and two equivalent S(1) atoms. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 7-coordinate geometry to one S(2), two equivalent S(3), and four equivalent S(1) atoms. In the second Tm site, Tm(2) is bonded to one S(2), one S(3), and four equivalent S(1) atoms to form distorted edge-sharing TmS6 pentagonal pyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Tm(1), and two equivalent Tm(2) atoms. In the second S site, S(2) is bonded in a T-shaped geometry to one Mg(1), one Tm(1), and one Tm(2) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Tm(2), and two equivalent Tm(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.837
_cell_length_b   7.297
_cell_length_c   11.303
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   646.409
_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  0.045  0.750  0.306  1.0
  Tm  Tm1  1  0.955  0.250  0.694  1.0
  Tm  Tm2  1  0.455  0.250  0.806  1.0
  Tm  Tm3  1  0.545  0.750  0.194  1.0
  Tm  Tm4  1  0.064  0.250  0.015  1.0
  Tm  Tm5  1  0.936  0.750  0.985  1.0
  Tm  Tm6  1  0.436  0.750  0.515  1.0
  Tm  Tm7  1  0.564  0.250  0.485  1.0
  Mg  Mg8  1  0.175  0.250  0.402  1.0
  Mg  Mg9  1  0.825  0.750  0.598  1.0
  Mg  Mg10  1  0.325  0.750  0.902  1.0
  Mg  Mg11  1  0.675  0.250  0.098  1.0
  S  S12  1  0.121  0.505  0.841  1.0
  S  S13  1  0.879  0.495  0.159  1.0
  S  S14  1  0.379  0.495  0.341  1.0
  S  S15  1  0.621  0.505  0.659  1.0
  S  S16  1  0.621  0.995  0.659  1.0
  S  S17  1  0.379  0.005  0.341  1.0
  S  S18  1  0.879  0.005  0.159  1.0
  S  S19  1  0.121  0.995  0.841  1.0
  S  S20  1  0.888  0.250  0.461  1.0
  S  S21  1  0.112  0.750  0.539  1.0
  S  S22  1  0.612  0.750  0.961  1.0
  S  S23  1  0.388  0.250  0.039  1.0
  S  S24  1  0.229  0.750  0.109  1.0
  S  S25  1  0.771  0.250  0.891  1.0
  S  S26  1  0.271  0.250  0.609  1.0
  S  S27  1  0.729  0.750  0.391  1.0
[/CIF]
.