The material described by Dy6Al2SiS14 crystallizes in the trigonal P3 space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 7-coordinate geometry to one S(1), one S(3), one S(6), two equivalent S(4), and two equivalent S(5) atoms. In the second Dy site, Dy(2) is bonded in a 8-coordinate geometry to one S(2), one S(5), two equivalent S(3), two equivalent S(4), and two equivalent S(6) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in an octahedral geometry to three equivalent S(3) and three equivalent S(4) atoms. In the second Al site, Al(2) is bonded in a tetrahedral geometry to one S(2) and three equivalent S(6) atoms. Si(1) is bonded in a tetrahedral geometry to one S(1) and three equivalent S(5) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Dy(1) and one Si(1) atom to form distorted corner-sharing SDy3Si tetrahedra. In the second S site, S(2) is bonded to three equivalent Dy(2) and one Al(2) atom to form distorted corner-sharing SDy3Al tetrahedra. In the third S site, S(3) is bonded to one Dy(1), two equivalent Dy(2), and one Al(1) atom to form distorted SDy3Al trigonal pyramids that share  a cornercorner with one S(1)Dy3Si tetrahedra, corners with two equivalent S(2)Dy3Al tetrahedra, and edges with two equivalent S(3)Dy3Al trigonal pyramids. In the fourth S site, S(4) is bonded in a 4-coordinate geometry to two equivalent Dy(1), two equivalent Dy(2), and one Al(1) atom. In the fifth S site, S(5) is bonded in a distorted rectangular see-saw-like geometry to one Dy(2), two equivalent Dy(1), and one Si(1) atom. In the sixth S site, S(6) is bonded in a distorted rectangular see-saw-like geometry to one Dy(1), two equivalent Dy(2), and one Al(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Dy6Al2SiS14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.686
_cell_length_b   9.686
_cell_length_c   5.949
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   483.398
_cell_formula_units_Z   1
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
  Dy  Dy0  1  0.811  0.701  0.940  1.0
  Dy  Dy1  1  0.890  0.189  0.940  1.0
  Dy  Dy2  1  0.299  0.110  0.940  1.0
  Dy  Dy3  1  0.516  0.964  0.427  1.0
  Dy  Dy4  1  0.448  0.484  0.427  1.0
  Dy  Dy5  1  0.036  0.552  0.427  1.0
  Al  Al6  1  0.667  0.333  0.119  1.0
  Al  Al7  1  0.333  0.667  0.013  1.0
  Si  Si8  1  0.000  0.000  0.516  1.0
  S  S9  1  0.000  0.000  0.158  1.0
  S  S10  1  0.333  0.667  0.639  1.0
  S  S11  1  0.767  0.569  0.350  1.0
  S  S12  1  0.802  0.233  0.350  1.0
  S  S13  1  0.431  0.198  0.350  1.0
  S  S14  1  0.569  0.090  0.885  1.0
  S  S15  1  0.521  0.431  0.885  1.0
  S  S16  1  0.910  0.479  0.885  1.0
  S  S17  1  0.769  0.911  0.662  1.0
  S  S18  1  0.142  0.231  0.662  1.0
  S  S19  1  0.089  0.858  0.662  1.0
  S  S20  1  0.577  0.764  0.168  1.0
  S  S21  1  0.187  0.423  0.168  1.0
  S  S22  1  0.236  0.813  0.168  1.0
[/CIF]
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The material described by Dy6Al2SiS14 crystallizes in the trigonal P3 space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 7-coordinate geometry to one S(1), one S(3), one S(6), two equivalent S(4), and two equivalent S(5) atoms. In the second Dy site, Dy(2) is bonded in a 8-coordinate geometry to one S(2), one S(5), two equivalent S(3), two equivalent S(4), and two equivalent S(6) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in an octahedral geometry to three equivalent S(3) and three equivalent S(4) atoms. In the second Al site, Al(2) is bonded in a tetrahedral geometry to one S(2) and three equivalent S(6) atoms. Si(1) is bonded in a tetrahedral geometry to one S(1) and three equivalent S(5) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Dy(1) and one Si(1) atom to form distorted corner-sharing SDy3Si tetrahedra. In the second S site, S(2) is bonded to three equivalent Dy(2) and one Al(2) atom to form distorted corner-sharing SDy3Al tetrahedra. In the third S site, S(3) is bonded to one Dy(1), two equivalent Dy(2), and one Al(1) atom to form distorted SDy3Al trigonal pyramids that share  a cornercorner with one S(1)Dy3Si tetrahedra, corners with two equivalent S(2)Dy3Al tetrahedra, and edges with two equivalent S(3)Dy3Al trigonal pyramids. In the fourth S site, S(4) is bonded in a 4-coordinate geometry to two equivalent Dy(1), two equivalent Dy(2), and one Al(1) atom. In the fifth S site, S(5) is bonded in a distorted rectangular see-saw-like geometry to one Dy(2), two equivalent Dy(1), and one Si(1) atom. In the sixth S site, S(6) is bonded in a distorted rectangular see-saw-like geometry to one Dy(1), two equivalent Dy(2), and one Al(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Dy6Al2SiS14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.686
_cell_length_b   9.686
_cell_length_c   5.949
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   483.398
_cell_formula_units_Z   1
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
  Dy  Dy0  1  0.811  0.701  0.940  1.0
  Dy  Dy1  1  0.890  0.189  0.940  1.0
  Dy  Dy2  1  0.299  0.110  0.940  1.0
  Dy  Dy3  1  0.516  0.964  0.427  1.0
  Dy  Dy4  1  0.448  0.484  0.427  1.0
  Dy  Dy5  1  0.036  0.552  0.427  1.0
  Al  Al6  1  0.667  0.333  0.119  1.0
  Al  Al7  1  0.333  0.667  0.013  1.0
  Si  Si8  1  0.000  0.000  0.516  1.0
  S  S9  1  0.000  0.000  0.158  1.0
  S  S10  1  0.333  0.667  0.639  1.0
  S  S11  1  0.767  0.569  0.350  1.0
  S  S12  1  0.802  0.233  0.350  1.0
  S  S13  1  0.431  0.198  0.350  1.0
  S  S14  1  0.569  0.090  0.885  1.0
  S  S15  1  0.521  0.431  0.885  1.0
  S  S16  1  0.910  0.479  0.885  1.0
  S  S17  1  0.769  0.911  0.662  1.0
  S  S18  1  0.142  0.231  0.662  1.0
  S  S19  1  0.089  0.858  0.662  1.0
  S  S20  1  0.577  0.764  0.168  1.0
  S  S21  1  0.187  0.423  0.168  1.0
  S  S22  1  0.236  0.813  0.168  1.0
[/CIF]
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