The structure described by Tm2ZnS4 is Spinel-like structured and 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(2), one S(3), and four equivalent S(1) atoms to form TmS6 octahedra that share corners with four equivalent Tm(1)S6 octahedra, corners with four equivalent Tm(2)S6 octahedra, corners with four equivalent Zn(1)S4 tetrahedra, edges with two equivalent Tm(2)S6 octahedra, and  an edgeedge with one Zn(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-55°. In the second Tm site, Tm(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form TmS6 octahedra that share corners with four equivalent Tm(1)S6 octahedra, corners with two equivalent Zn(1)S4 tetrahedra, edges with two equivalent Tm(1)S6 octahedra, edges with two equivalent Tm(2)S6 octahedra, and edges with two equivalent Zn(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-55°. Zn(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form ZnS4 tetrahedra that share corners with two equivalent Tm(2)S6 octahedra, corners with four equivalent Tm(1)S6 octahedra,  an edgeedge with one Tm(1)S6 octahedra, and edges with two equivalent Tm(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-62°. There are three inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Tm(2), two equivalent Tm(1), and one Zn(1) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Tm(1), two equivalent Tm(2), and one Zn(1) atom. In the third S site, S(3) is bonded to one Tm(1), two equivalent Tm(2), and one Zn(1) atom to form distorted corner-sharing STm3Zn trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm2ZnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.253
_cell_length_b   7.747
_cell_length_c   13.306
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   644.520
_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  0.504  0.750  0.765  1.0
  Tm  Tm1  1  0.004  0.250  0.735  1.0
  Tm  Tm2  1  0.496  0.250  0.235  1.0
  Tm  Tm3  1  0.996  0.750  0.265  1.0
  Tm  Tm4  1  0.500  0.500  0.500  1.0
  Tm  Tm5  1  0.000  0.500  0.000  1.0
  Tm  Tm6  1  0.500  0.000  0.500  1.0
  Tm  Tm7  1  0.000  0.000  0.000  1.0
  Zn  Zn8  1  0.088  0.750  0.592  1.0
  Zn  Zn9  1  0.588  0.250  0.908  1.0
  Zn  Zn10  1  0.912  0.250  0.408  1.0
  Zn  Zn11  1  0.412  0.750  0.092  1.0
  S  S12  1  0.243  0.512  0.168  1.0
  S  S13  1  0.743  0.488  0.332  1.0
  S  S14  1  0.757  0.012  0.832  1.0
  S  S15  1  0.257  0.988  0.668  1.0
  S  S16  1  0.757  0.488  0.832  1.0
  S  S17  1  0.257  0.512  0.668  1.0
  S  S18  1  0.243  0.988  0.168  1.0
  S  S19  1  0.743  0.012  0.332  1.0
  S  S20  1  0.256  0.750  0.929  1.0
  S  S21  1  0.756  0.250  0.571  1.0
  S  S22  1  0.744  0.250  0.071  1.0
  S  S23  1  0.244  0.750  0.429  1.0
  S  S24  1  0.776  0.750  0.090  1.0
  S  S25  1  0.276  0.250  0.410  1.0
  S  S26  1  0.224  0.250  0.910  1.0
  S  S27  1  0.724  0.750  0.590  1.0
[/CIF]
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The structure described by Tm2ZnS4 is Spinel-like structured and 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(2), one S(3), and four equivalent S(1) atoms to form TmS6 octahedra that share corners with four equivalent Tm(1)S6 octahedra, corners with four equivalent Tm(2)S6 octahedra, corners with four equivalent Zn(1)S4 tetrahedra, edges with two equivalent Tm(2)S6 octahedra, and  an edgeedge with one Zn(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-55°. In the second Tm site, Tm(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form TmS6 octahedra that share corners with four equivalent Tm(1)S6 octahedra, corners with two equivalent Zn(1)S4 tetrahedra, edges with two equivalent Tm(1)S6 octahedra, edges with two equivalent Tm(2)S6 octahedra, and edges with two equivalent Zn(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-55°. Zn(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form ZnS4 tetrahedra that share corners with two equivalent Tm(2)S6 octahedra, corners with four equivalent Tm(1)S6 octahedra,  an edgeedge with one Tm(1)S6 octahedra, and edges with two equivalent Tm(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-62°. There are three inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Tm(2), two equivalent Tm(1), and one Zn(1) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Tm(1), two equivalent Tm(2), and one Zn(1) atom. In the third S site, S(3) is bonded to one Tm(1), two equivalent Tm(2), and one Zn(1) atom to form distorted corner-sharing STm3Zn trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm2ZnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.253
_cell_length_b   7.747
_cell_length_c   13.306
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   644.520
_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  0.504  0.750  0.765  1.0
  Tm  Tm1  1  0.004  0.250  0.735  1.0
  Tm  Tm2  1  0.496  0.250  0.235  1.0
  Tm  Tm3  1  0.996  0.750  0.265  1.0
  Tm  Tm4  1  0.500  0.500  0.500  1.0
  Tm  Tm5  1  0.000  0.500  0.000  1.0
  Tm  Tm6  1  0.500  0.000  0.500  1.0
  Tm  Tm7  1  0.000  0.000  0.000  1.0
  Zn  Zn8  1  0.088  0.750  0.592  1.0
  Zn  Zn9  1  0.588  0.250  0.908  1.0
  Zn  Zn10  1  0.912  0.250  0.408  1.0
  Zn  Zn11  1  0.412  0.750  0.092  1.0
  S  S12  1  0.243  0.512  0.168  1.0
  S  S13  1  0.743  0.488  0.332  1.0
  S  S14  1  0.757  0.012  0.832  1.0
  S  S15  1  0.257  0.988  0.668  1.0
  S  S16  1  0.757  0.488  0.832  1.0
  S  S17  1  0.257  0.512  0.668  1.0
  S  S18  1  0.243  0.988  0.168  1.0
  S  S19  1  0.743  0.012  0.332  1.0
  S  S20  1  0.256  0.750  0.929  1.0
  S  S21  1  0.756  0.250  0.571  1.0
  S  S22  1  0.744  0.250  0.071  1.0
  S  S23  1  0.244  0.750  0.429  1.0
  S  S24  1  0.776  0.750  0.090  1.0
  S  S25  1  0.276  0.250  0.410  1.0
  S  S26  1  0.224  0.250  0.910  1.0
  S  S27  1  0.724  0.750  0.590  1.0
[/CIF]
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