The material described by SrY2S4 crystallizes in the tetragonal I-42d space group. Sr(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. Y(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. S(1) is bonded to two equivalent Sr(1) and four equivalent Y(1) atoms to form a mixture of distorted face, corner, and edge-sharing SSr2Y4 octahedra. The corner-sharing octahedral tilt angles range from 17-49°. is represented by the CIF file [CIF]
data_Sr(YS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.397
_cell_length_b   7.397
_cell_length_c   7.397
_cell_angle_alpha   109.402
_cell_angle_beta   109.402
_cell_angle_gamma   109.610
_symmetry_Int_Tables_number   1
_cell_volume   311.499
_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
  Sr  Sr0  1  0.500  0.500  0.000  1.0
  Sr  Sr1  1  0.750  0.250  0.500  1.0
  Y  Y2  1  0.625  0.995  0.870  1.0
  Y  Y3  1  0.005  0.875  0.630  1.0
  Y  Y4  1  0.125  0.755  0.130  1.0
  Y  Y5  1  0.245  0.375  0.370  1.0
  S  S6  1  0.239  0.638  0.746  1.0
  S  S7  1  0.888  0.989  0.246  1.0
  S  S8  1  0.507  0.761  0.399  1.0
  S  S9  1  0.892  0.493  0.254  1.0
  S  S10  1  0.743  0.642  0.754  1.0
  S  S11  1  0.358  0.112  0.101  1.0
  S  S12  1  0.011  0.257  0.899  1.0
  S  S13  1  0.362  0.108  0.601  1.0
[/CIF]
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The material described by SrY2S4 crystallizes in the tetragonal I-42d space group. Sr(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. Y(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. S(1) is bonded to two equivalent Sr(1) and four equivalent Y(1) atoms to form a mixture of distorted face, corner, and edge-sharing SSr2Y4 octahedra. The corner-sharing octahedral tilt angles range from 17-49°. is represented by the CIF file [CIF]
data_Sr(YS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.397
_cell_length_b   7.397
_cell_length_c   7.397
_cell_angle_alpha   109.402
_cell_angle_beta   109.402
_cell_angle_gamma   109.610
_symmetry_Int_Tables_number   1
_cell_volume   311.499
_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
  Sr  Sr0  1  0.500  0.500  0.000  1.0
  Sr  Sr1  1  0.750  0.250  0.500  1.0
  Y  Y2  1  0.625  0.995  0.870  1.0
  Y  Y3  1  0.005  0.875  0.630  1.0
  Y  Y4  1  0.125  0.755  0.130  1.0
  Y  Y5  1  0.245  0.375  0.370  1.0
  S  S6  1  0.239  0.638  0.746  1.0
  S  S7  1  0.888  0.989  0.246  1.0
  S  S8  1  0.507  0.761  0.399  1.0
  S  S9  1  0.892  0.493  0.254  1.0
  S  S10  1  0.743  0.642  0.754  1.0
  S  S11  1  0.358  0.112  0.101  1.0
  S  S12  1  0.011  0.257  0.899  1.0
  S  S13  1  0.362  0.108  0.601  1.0
[/CIF]
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