The material described by Y2S3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent S(1), two equivalent S(3), and three equivalent S(2) atoms to form a mixture of distorted edge and corner-sharing YS7 pentagonal bipyramids. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to two equivalent S(2), three equivalent S(1), and three equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Y(1) and three equivalent Y(2) atoms to form a mixture of distorted edge and corner-sharing SY5 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Y(2) and three equivalent Y(1) atoms to form a mixture of edge and corner-sharing SY5 square pyramids. In the third S site, S(3) is bonded in a 5-coordinate geometry to two equivalent Y(1) and three equivalent Y(2) atoms. is represented by the CIF card [CIF]
data_Y2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.869
_cell_length_b   10.506
_cell_length_c   10.632
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   432.217
_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
  Y  Y0  1  0.250  0.187  0.490  1.0
  Y  Y1  1  0.250  0.313  0.990  1.0
  Y  Y2  1  0.750  0.813  0.510  1.0
  Y  Y3  1  0.750  0.687  0.010  1.0
  Y  Y4  1  0.750  0.495  0.692  1.0
  Y  Y5  1  0.750  0.005  0.192  1.0
  Y  Y6  1  0.250  0.505  0.308  1.0
  Y  Y7  1  0.250  0.995  0.808  1.0
  S  S8  1  0.250  0.627  0.546  1.0
  S  S9  1  0.250  0.873  0.046  1.0
  S  S10  1  0.750  0.373  0.454  1.0
  S  S11  1  0.750  0.127  0.954  1.0
  S  S12  1  0.750  0.055  0.619  1.0
  S  S13  1  0.750  0.445  0.119  1.0
  S  S14  1  0.250  0.945  0.381  1.0
  S  S15  1  0.250  0.555  0.881  1.0
  S  S16  1  0.250  0.305  0.727  1.0
  S  S17  1  0.250  0.195  0.227  1.0
  S  S18  1  0.750  0.695  0.273  1.0
  S  S19  1  0.750  0.805  0.773  1.0
[/CIF]
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The material described by Y2S3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent S(1), two equivalent S(3), and three equivalent S(2) atoms to form a mixture of distorted edge and corner-sharing YS7 pentagonal bipyramids. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to two equivalent S(2), three equivalent S(1), and three equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Y(1) and three equivalent Y(2) atoms to form a mixture of distorted edge and corner-sharing SY5 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Y(2) and three equivalent Y(1) atoms to form a mixture of edge and corner-sharing SY5 square pyramids. In the third S site, S(3) is bonded in a 5-coordinate geometry to two equivalent Y(1) and three equivalent Y(2) atoms. is represented by the CIF card [CIF]
data_Y2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.869
_cell_length_b   10.506
_cell_length_c   10.632
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   432.217
_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
  Y  Y0  1  0.250  0.187  0.490  1.0
  Y  Y1  1  0.250  0.313  0.990  1.0
  Y  Y2  1  0.750  0.813  0.510  1.0
  Y  Y3  1  0.750  0.687  0.010  1.0
  Y  Y4  1  0.750  0.495  0.692  1.0
  Y  Y5  1  0.750  0.005  0.192  1.0
  Y  Y6  1  0.250  0.505  0.308  1.0
  Y  Y7  1  0.250  0.995  0.808  1.0
  S  S8  1  0.250  0.627  0.546  1.0
  S  S9  1  0.250  0.873  0.046  1.0
  S  S10  1  0.750  0.373  0.454  1.0
  S  S11  1  0.750  0.127  0.954  1.0
  S  S12  1  0.750  0.055  0.619  1.0
  S  S13  1  0.750  0.445  0.119  1.0
  S  S14  1  0.250  0.945  0.381  1.0
  S  S15  1  0.250  0.555  0.881  1.0
  S  S16  1  0.250  0.305  0.727  1.0
  S  S17  1  0.250  0.195  0.227  1.0
  S  S18  1  0.750  0.695  0.273  1.0
  S  S19  1  0.750  0.805  0.773  1.0
[/CIF]
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