The material described by TmSm2S4 crystallizes in the tetragonal I-42d space group. Tm(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. Sm(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. S(1) is bonded to two equivalent Tm(1) and four equivalent Sm(1) atoms to form a mixture of distorted corner, face, and edge-sharing SSm4Tm2 octahedra. The corner-sharing octahedral tilt angles range from 15-51°. is represented by the CIF card [CIF]
data_Sm2TmS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.286
_cell_length_b   7.286
_cell_length_c   7.286
_cell_angle_alpha   110.082
_cell_angle_beta   110.082
_cell_angle_gamma   108.257
_symmetry_Int_Tables_number   1
_cell_volume   297.705
_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
  Sm  Sm0  1  0.992  0.625  0.867  1.0
  Sm  Sm1  1  0.758  0.125  0.133  1.0
  Sm  Sm2  1  0.875  0.008  0.633  1.0
  Sm  Sm3  1  0.375  0.242  0.367  1.0
  Tm  Tm4  1  0.500  0.500  0.000  1.0
  Tm  Tm5  1  0.250  0.750  0.500  1.0
  S  S6  1  0.128  0.385  0.113  1.0
  S  S7  1  0.135  0.378  0.613  1.0
  S  S8  1  0.765  0.522  0.387  1.0
  S  S9  1  0.615  0.728  0.743  1.0
  S  S10  1  0.272  0.015  0.887  1.0
  S  S11  1  0.478  0.865  0.243  1.0
  S  S12  1  0.985  0.872  0.257  1.0
  S  S13  1  0.622  0.235  0.757  1.0
[/CIF]
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The material described by TmSm2S4 crystallizes in the tetragonal I-42d space group. Tm(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. Sm(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. S(1) is bonded to two equivalent Tm(1) and four equivalent Sm(1) atoms to form a mixture of distorted corner, face, and edge-sharing SSm4Tm2 octahedra. The corner-sharing octahedral tilt angles range from 15-51°. is represented by the CIF card [CIF]
data_Sm2TmS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.286
_cell_length_b   7.286
_cell_length_c   7.286
_cell_angle_alpha   110.082
_cell_angle_beta   110.082
_cell_angle_gamma   108.257
_symmetry_Int_Tables_number   1
_cell_volume   297.705
_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
  Sm  Sm0  1  0.992  0.625  0.867  1.0
  Sm  Sm1  1  0.758  0.125  0.133  1.0
  Sm  Sm2  1  0.875  0.008  0.633  1.0
  Sm  Sm3  1  0.375  0.242  0.367  1.0
  Tm  Tm4  1  0.500  0.500  0.000  1.0
  Tm  Tm5  1  0.250  0.750  0.500  1.0
  S  S6  1  0.128  0.385  0.113  1.0
  S  S7  1  0.135  0.378  0.613  1.0
  S  S8  1  0.765  0.522  0.387  1.0
  S  S9  1  0.615  0.728  0.743  1.0
  S  S10  1  0.272  0.015  0.887  1.0
  S  S11  1  0.478  0.865  0.243  1.0
  S  S12  1  0.985  0.872  0.257  1.0
  S  S13  1  0.622  0.235  0.757  1.0
[/CIF]
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