The material described by Dy3NiAlS7 crystallizes in the hexagonal P6_3 space group. Dy(1) is bonded in a 7-coordinate geometry to one S(3), three equivalent S(1), and three equivalent S(2) atoms. Ni(1) is bonded to six equivalent S(1) atoms to form face-sharing NiS6 octahedra. Al(1) is bonded in a tetrahedral geometry to one S(3) and three equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Dy(1) and two equivalent Ni(1) atoms to form SDy3Ni2 square pyramids that share corners with two equivalent S(1)Dy3Ni2 square pyramids, corners with three equivalent S(3)Dy3Al tetrahedra, edges with four equivalent S(1)Dy3Ni2 square pyramids, and faces with two equivalent S(1)Dy3Ni2 square pyramids. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Dy(1) and one Al(1) atom. In the third S site, S(3) is bonded to three equivalent Dy(1) and one Al(1) atom to form distorted corner-sharing SDy3Al tetrahedra. is represented by the CIF card [CIF]
data_Dy3AlNiS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.554
_cell_length_b   9.554
_cell_length_c   6.197
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   489.870
_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
  Dy  Dy0  1  0.778  0.154  0.728  1.0
  Dy  Dy1  1  0.376  0.222  0.728  1.0
  Dy  Dy2  1  0.846  0.624  0.728  1.0
  Dy  Dy3  1  0.222  0.846  0.228  1.0
  Dy  Dy4  1  0.624  0.778  0.228  1.0
  Dy  Dy5  1  0.154  0.376  0.228  1.0
  Al  Al6  1  0.667  0.333  0.154  1.0
  Al  Al7  1  0.333  0.667  0.654  1.0
  Ni  Ni8  1  0.000  0.000  0.559  1.0
  Ni  Ni9  1  0.000  0.000  0.059  1.0
  S  S10  1  0.869  0.099  0.324  1.0
  S  S11  1  0.231  0.131  0.324  1.0
  S  S12  1  0.901  0.769  0.324  1.0
  S  S13  1  0.131  0.901  0.824  1.0
  S  S14  1  0.769  0.869  0.824  1.0
  S  S15  1  0.099  0.231  0.824  1.0
  S  S16  1  0.911  0.432  0.999  1.0
  S  S17  1  0.521  0.089  0.999  1.0
  S  S18  1  0.568  0.479  0.999  1.0
  S  S19  1  0.089  0.568  0.499  1.0
  S  S20  1  0.479  0.911  0.499  1.0
  S  S21  1  0.432  0.521  0.499  1.0
  S  S22  1  0.667  0.333  0.516  1.0
  S  S23  1  0.333  0.667  0.016  1.0
[/CIF]
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The material described by Dy3NiAlS7 crystallizes in the hexagonal P6_3 space group. Dy(1) is bonded in a 7-coordinate geometry to one S(3), three equivalent S(1), and three equivalent S(2) atoms. Ni(1) is bonded to six equivalent S(1) atoms to form face-sharing NiS6 octahedra. Al(1) is bonded in a tetrahedral geometry to one S(3) and three equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Dy(1) and two equivalent Ni(1) atoms to form SDy3Ni2 square pyramids that share corners with two equivalent S(1)Dy3Ni2 square pyramids, corners with three equivalent S(3)Dy3Al tetrahedra, edges with four equivalent S(1)Dy3Ni2 square pyramids, and faces with two equivalent S(1)Dy3Ni2 square pyramids. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Dy(1) and one Al(1) atom. In the third S site, S(3) is bonded to three equivalent Dy(1) and one Al(1) atom to form distorted corner-sharing SDy3Al tetrahedra. is represented by the CIF card [CIF]
data_Dy3AlNiS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.554
_cell_length_b   9.554
_cell_length_c   6.197
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   489.870
_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
  Dy  Dy0  1  0.778  0.154  0.728  1.0
  Dy  Dy1  1  0.376  0.222  0.728  1.0
  Dy  Dy2  1  0.846  0.624  0.728  1.0
  Dy  Dy3  1  0.222  0.846  0.228  1.0
  Dy  Dy4  1  0.624  0.778  0.228  1.0
  Dy  Dy5  1  0.154  0.376  0.228  1.0
  Al  Al6  1  0.667  0.333  0.154  1.0
  Al  Al7  1  0.333  0.667  0.654  1.0
  Ni  Ni8  1  0.000  0.000  0.559  1.0
  Ni  Ni9  1  0.000  0.000  0.059  1.0
  S  S10  1  0.869  0.099  0.324  1.0
  S  S11  1  0.231  0.131  0.324  1.0
  S  S12  1  0.901  0.769  0.324  1.0
  S  S13  1  0.131  0.901  0.824  1.0
  S  S14  1  0.769  0.869  0.824  1.0
  S  S15  1  0.099  0.231  0.824  1.0
  S  S16  1  0.911  0.432  0.999  1.0
  S  S17  1  0.521  0.089  0.999  1.0
  S  S18  1  0.568  0.479  0.999  1.0
  S  S19  1  0.089  0.568  0.499  1.0
  S  S20  1  0.479  0.911  0.499  1.0
  S  S21  1  0.432  0.521  0.499  1.0
  S  S22  1  0.667  0.333  0.516  1.0
  S  S23  1  0.333  0.667  0.016  1.0
[/CIF]
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