The compound described by CsTmSiS4 crystallizes in the orthorhombic P2_12_12_1 space group. Cs(1) is bonded in a 8-coordinate geometry to one S(2), two equivalent S(3), two equivalent S(4), and three equivalent S(1) atoms. Tm(1) is bonded in a 7-coordinate geometry to one S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. Si(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to three equivalent Cs(1), one Tm(1), and one Si(1) atom. In the second S site, S(2) is bonded in a distorted see-saw-like geometry to one Cs(1), two equivalent Tm(1), and one Si(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to two equivalent Cs(1), two equivalent Tm(1), and one Si(1) atom. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to two equivalent Cs(1), two equivalent Tm(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsTmSiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.361
_cell_length_b   6.715
_cell_length_c   18.007
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   769.200
_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
  Cs  Cs0  1  0.502  0.493  0.967  1.0
  Cs  Cs1  1  0.998  0.507  0.467  1.0
  Cs  Cs2  1  0.002  0.007  0.033  1.0
  Cs  Cs3  1  0.498  0.993  0.533  1.0
  Tm  Tm4  1  0.292  0.479  0.229  1.0
  Tm  Tm5  1  0.208  0.521  0.729  1.0
  Tm  Tm6  1  0.792  0.021  0.771  1.0
  Tm  Tm7  1  0.708  0.979  0.271  1.0
  Si  Si8  1  0.792  0.518  0.171  1.0
  Si  Si9  1  0.708  0.482  0.671  1.0
  Si  Si10  1  0.292  0.982  0.829  1.0
  Si  Si11  1  0.208  0.018  0.329  1.0
  S  S12  1  0.056  0.511  0.100  1.0
  S  S13  1  0.444  0.489  0.600  1.0
  S  S14  1  0.556  0.989  0.900  1.0
  S  S15  1  0.944  0.011  0.400  1.0
  S  S16  1  0.600  0.419  0.780  1.0
  S  S17  1  0.900  0.581  0.280  1.0
  S  S18  1  0.100  0.081  0.220  1.0
  S  S19  1  0.400  0.919  0.720  1.0
  S  S20  1  0.566  0.748  0.150  1.0
  S  S21  1  0.934  0.252  0.650  1.0
  S  S22  1  0.066  0.752  0.850  1.0
  S  S23  1  0.434  0.248  0.350  1.0
  S  S24  1  0.602  0.254  0.160  1.0
  S  S25  1  0.898  0.746  0.660  1.0
  S  S26  1  0.102  0.246  0.840  1.0
  S  S27  1  0.398  0.754  0.340  1.0
[/CIF]
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The compound described by CsTmSiS4 crystallizes in the orthorhombic P2_12_12_1 space group. Cs(1) is bonded in a 8-coordinate geometry to one S(2), two equivalent S(3), two equivalent S(4), and three equivalent S(1) atoms. Tm(1) is bonded in a 7-coordinate geometry to one S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. Si(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to three equivalent Cs(1), one Tm(1), and one Si(1) atom. In the second S site, S(2) is bonded in a distorted see-saw-like geometry to one Cs(1), two equivalent Tm(1), and one Si(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to two equivalent Cs(1), two equivalent Tm(1), and one Si(1) atom. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to two equivalent Cs(1), two equivalent Tm(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsTmSiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.361
_cell_length_b   6.715
_cell_length_c   18.007
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   769.200
_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
  Cs  Cs0  1  0.502  0.493  0.967  1.0
  Cs  Cs1  1  0.998  0.507  0.467  1.0
  Cs  Cs2  1  0.002  0.007  0.033  1.0
  Cs  Cs3  1  0.498  0.993  0.533  1.0
  Tm  Tm4  1  0.292  0.479  0.229  1.0
  Tm  Tm5  1  0.208  0.521  0.729  1.0
  Tm  Tm6  1  0.792  0.021  0.771  1.0
  Tm  Tm7  1  0.708  0.979  0.271  1.0
  Si  Si8  1  0.792  0.518  0.171  1.0
  Si  Si9  1  0.708  0.482  0.671  1.0
  Si  Si10  1  0.292  0.982  0.829  1.0
  Si  Si11  1  0.208  0.018  0.329  1.0
  S  S12  1  0.056  0.511  0.100  1.0
  S  S13  1  0.444  0.489  0.600  1.0
  S  S14  1  0.556  0.989  0.900  1.0
  S  S15  1  0.944  0.011  0.400  1.0
  S  S16  1  0.600  0.419  0.780  1.0
  S  S17  1  0.900  0.581  0.280  1.0
  S  S18  1  0.100  0.081  0.220  1.0
  S  S19  1  0.400  0.919  0.720  1.0
  S  S20  1  0.566  0.748  0.150  1.0
  S  S21  1  0.934  0.252  0.650  1.0
  S  S22  1  0.066  0.752  0.850  1.0
  S  S23  1  0.434  0.248  0.350  1.0
  S  S24  1  0.602  0.254  0.160  1.0
  S  S25  1  0.898  0.746  0.660  1.0
  S  S26  1  0.102  0.246  0.840  1.0
  S  S27  1  0.398  0.754  0.340  1.0
[/CIF]
.