The crystal structure described by Y6Al2SiS14 crystallizes in the trigonal P3 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one S(1), one S(4), one S(6), two equivalent S(3), and two equivalent S(5) atoms. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to one S(2), one S(3), two equivalent S(4), two equivalent S(5), 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(5) and three equivalent S(6) atoms. In the second Al site, Al(2) is bonded in a tetrahedral geometry to one S(2) and three equivalent S(4) atoms. Si(1) is bonded in a tetrahedral geometry to one S(1) and three equivalent S(3) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Y(1) and one Si(1) atom to form distorted corner-sharing SY3Si tetrahedra. In the second S site, S(2) is bonded to three equivalent Y(2) and one Al(2) atom to form distorted corner-sharing SY3Al tetrahedra. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Y(2), two equivalent Y(1), and one Si(1) atom. In the fourth S site, S(4) is bonded in a distorted rectangular see-saw-like geometry to one Y(1), two equivalent Y(2), and one Al(2) atom. In the fifth S site, S(5) is bonded in a 4-coordinate geometry to two equivalent Y(1), two equivalent Y(2), and one Al(1) atom. In the sixth S site, S(6) is bonded to one Y(1), two equivalent Y(2), and one Al(1) atom to form distorted SY3Al trigonal pyramids that share  a cornercorner with one S(1)Y3Si tetrahedra, corners with two equivalent S(2)Y3Al tetrahedra, and edges with two equivalent S(6)Y3Al trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y6Al2SiS14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.712
_cell_length_b   9.712
_cell_length_c   5.970
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   487.605
_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
  Y  Y0  1  0.811  0.701  0.516  1.0
  Y  Y1  1  0.890  0.189  0.516  1.0
  Y  Y2  1  0.299  0.110  0.516  1.0
  Y  Y3  1  0.516  0.964  0.028  1.0
  Y  Y4  1  0.449  0.484  0.028  1.0
  Y  Y5  1  0.036  0.551  0.028  1.0
  Al  Al6  1  0.667  0.333  0.339  1.0
  Al  Al7  1  0.333  0.667  0.442  1.0
  Si  Si8  1  0.000  0.000  0.939  1.0
  S  S9  1  0.000  0.000  0.297  1.0
  S  S10  1  0.333  0.667  0.816  1.0
  S  S11  1  0.089  0.858  0.794  1.0
  S  S12  1  0.769  0.911  0.794  1.0
  S  S13  1  0.142  0.231  0.794  1.0
  S  S14  1  0.236  0.812  0.287  1.0
  S  S15  1  0.576  0.764  0.287  1.0
  S  S16  1  0.188  0.424  0.287  1.0
  S  S17  1  0.910  0.479  0.572  1.0
  S  S18  1  0.569  0.090  0.572  1.0
  S  S19  1  0.521  0.431  0.572  1.0
  S  S20  1  0.431  0.198  0.106  1.0
  S  S21  1  0.767  0.569  0.106  1.0
  S  S22  1  0.802  0.233  0.106  1.0
[/CIF]
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The crystal structure described by Y6Al2SiS14 crystallizes in the trigonal P3 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one S(1), one S(4), one S(6), two equivalent S(3), and two equivalent S(5) atoms. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to one S(2), one S(3), two equivalent S(4), two equivalent S(5), 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(5) and three equivalent S(6) atoms. In the second Al site, Al(2) is bonded in a tetrahedral geometry to one S(2) and three equivalent S(4) atoms. Si(1) is bonded in a tetrahedral geometry to one S(1) and three equivalent S(3) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Y(1) and one Si(1) atom to form distorted corner-sharing SY3Si tetrahedra. In the second S site, S(2) is bonded to three equivalent Y(2) and one Al(2) atom to form distorted corner-sharing SY3Al tetrahedra. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Y(2), two equivalent Y(1), and one Si(1) atom. In the fourth S site, S(4) is bonded in a distorted rectangular see-saw-like geometry to one Y(1), two equivalent Y(2), and one Al(2) atom. In the fifth S site, S(5) is bonded in a 4-coordinate geometry to two equivalent Y(1), two equivalent Y(2), and one Al(1) atom. In the sixth S site, S(6) is bonded to one Y(1), two equivalent Y(2), and one Al(1) atom to form distorted SY3Al trigonal pyramids that share  a cornercorner with one S(1)Y3Si tetrahedra, corners with two equivalent S(2)Y3Al tetrahedra, and edges with two equivalent S(6)Y3Al trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y6Al2SiS14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.712
_cell_length_b   9.712
_cell_length_c   5.970
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   487.605
_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
  Y  Y0  1  0.811  0.701  0.516  1.0
  Y  Y1  1  0.890  0.189  0.516  1.0
  Y  Y2  1  0.299  0.110  0.516  1.0
  Y  Y3  1  0.516  0.964  0.028  1.0
  Y  Y4  1  0.449  0.484  0.028  1.0
  Y  Y5  1  0.036  0.551  0.028  1.0
  Al  Al6  1  0.667  0.333  0.339  1.0
  Al  Al7  1  0.333  0.667  0.442  1.0
  Si  Si8  1  0.000  0.000  0.939  1.0
  S  S9  1  0.000  0.000  0.297  1.0
  S  S10  1  0.333  0.667  0.816  1.0
  S  S11  1  0.089  0.858  0.794  1.0
  S  S12  1  0.769  0.911  0.794  1.0
  S  S13  1  0.142  0.231  0.794  1.0
  S  S14  1  0.236  0.812  0.287  1.0
  S  S15  1  0.576  0.764  0.287  1.0
  S  S16  1  0.188  0.424  0.287  1.0
  S  S17  1  0.910  0.479  0.572  1.0
  S  S18  1  0.569  0.090  0.572  1.0
  S  S19  1  0.521  0.431  0.572  1.0
  S  S20  1  0.431  0.198  0.106  1.0
  S  S21  1  0.767  0.569  0.106  1.0
  S  S22  1  0.802  0.233  0.106  1.0
[/CIF]
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