The compound described by SrY2S4 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one S(4), two equivalent S(2), and three equivalent S(3) atoms to form a mixture of corner and edge-sharing YS6 octahedra. The corner-sharing octahedral tilt angles range from 48-64°. In the second Y site, Y(2) is bonded to one S(2), two equivalent S(4), and three equivalent S(1) atoms to form a mixture of corner and edge-sharing YS6 octahedra. The corner-sharing octahedral tilt angles range from 48-64°. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Sr(1) and three equivalent Y(2) atoms to form a mixture of corner and edge-sharing SSr2Y3 square pyramids. In the second S site, S(2) is bonded to two equivalent Sr(1), one Y(2), and two equivalent Y(1) atoms to form a mixture of distorted corner and edge-sharing SSr2Y3 trigonal bipyramids. In the third S site, S(3) is bonded to two equivalent Sr(1) and three equivalent Y(1) atoms to form a mixture of distorted corner and edge-sharing SSr2Y3 trigonal bipyramids. In the fourth S site, S(4) is bonded to two equivalent Sr(1), one Y(1), and two equivalent Y(2) atoms to form a mixture of distorted corner and edge-sharing SSr2Y3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr(YS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.993
_cell_length_b   12.023
_cell_length_c   14.353
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   689.072
_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
  Sr  Sr0  1  0.250  0.258  0.838  1.0
  Sr  Sr1  1  0.750  0.742  0.162  1.0
  Sr  Sr2  1  0.250  0.758  0.662  1.0
  Sr  Sr3  1  0.750  0.242  0.338  1.0
  Y  Y4  1  0.250  0.932  0.890  1.0
  Y  Y5  1  0.750  0.068  0.110  1.0
  Y  Y6  1  0.250  0.432  0.610  1.0
  Y  Y7  1  0.750  0.568  0.390  1.0
  Y  Y8  1  0.250  0.419  0.101  1.0
  Y  Y9  1  0.750  0.581  0.899  1.0
  Y  Y10  1  0.250  0.919  0.399  1.0
  Y  Y11  1  0.750  0.081  0.601  1.0
  S  S12  1  0.250  0.130  0.473  1.0
  S  S13  1  0.750  0.870  0.527  1.0
  S  S14  1  0.250  0.630  0.027  1.0
  S  S15  1  0.750  0.370  0.973  1.0
  S  S16  1  0.750  0.792  0.826  1.0
  S  S17  1  0.250  0.208  0.174  1.0
  S  S18  1  0.750  0.292  0.674  1.0
  S  S19  1  0.250  0.708  0.326  1.0
  S  S20  1  0.750  0.086  0.922  1.0
  S  S21  1  0.250  0.914  0.078  1.0
  S  S22  1  0.750  0.586  0.578  1.0
  S  S23  1  0.250  0.414  0.422  1.0
  S  S24  1  0.750  0.478  0.216  1.0
  S  S25  1  0.250  0.522  0.784  1.0
  S  S26  1  0.750  0.978  0.284  1.0
  S  S27  1  0.250  0.022  0.716  1.0
[/CIF]
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The compound described by SrY2S4 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one S(4), two equivalent S(2), and three equivalent S(3) atoms to form a mixture of corner and edge-sharing YS6 octahedra. The corner-sharing octahedral tilt angles range from 48-64°. In the second Y site, Y(2) is bonded to one S(2), two equivalent S(4), and three equivalent S(1) atoms to form a mixture of corner and edge-sharing YS6 octahedra. The corner-sharing octahedral tilt angles range from 48-64°. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Sr(1) and three equivalent Y(2) atoms to form a mixture of corner and edge-sharing SSr2Y3 square pyramids. In the second S site, S(2) is bonded to two equivalent Sr(1), one Y(2), and two equivalent Y(1) atoms to form a mixture of distorted corner and edge-sharing SSr2Y3 trigonal bipyramids. In the third S site, S(3) is bonded to two equivalent Sr(1) and three equivalent Y(1) atoms to form a mixture of distorted corner and edge-sharing SSr2Y3 trigonal bipyramids. In the fourth S site, S(4) is bonded to two equivalent Sr(1), one Y(1), and two equivalent Y(2) atoms to form a mixture of distorted corner and edge-sharing SSr2Y3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr(YS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.993
_cell_length_b   12.023
_cell_length_c   14.353
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   689.072
_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
  Sr  Sr0  1  0.250  0.258  0.838  1.0
  Sr  Sr1  1  0.750  0.742  0.162  1.0
  Sr  Sr2  1  0.250  0.758  0.662  1.0
  Sr  Sr3  1  0.750  0.242  0.338  1.0
  Y  Y4  1  0.250  0.932  0.890  1.0
  Y  Y5  1  0.750  0.068  0.110  1.0
  Y  Y6  1  0.250  0.432  0.610  1.0
  Y  Y7  1  0.750  0.568  0.390  1.0
  Y  Y8  1  0.250  0.419  0.101  1.0
  Y  Y9  1  0.750  0.581  0.899  1.0
  Y  Y10  1  0.250  0.919  0.399  1.0
  Y  Y11  1  0.750  0.081  0.601  1.0
  S  S12  1  0.250  0.130  0.473  1.0
  S  S13  1  0.750  0.870  0.527  1.0
  S  S14  1  0.250  0.630  0.027  1.0
  S  S15  1  0.750  0.370  0.973  1.0
  S  S16  1  0.750  0.792  0.826  1.0
  S  S17  1  0.250  0.208  0.174  1.0
  S  S18  1  0.750  0.292  0.674  1.0
  S  S19  1  0.250  0.708  0.326  1.0
  S  S20  1  0.750  0.086  0.922  1.0
  S  S21  1  0.250  0.914  0.078  1.0
  S  S22  1  0.750  0.586  0.578  1.0
  S  S23  1  0.250  0.414  0.422  1.0
  S  S24  1  0.750  0.478  0.216  1.0
  S  S25  1  0.250  0.522  0.784  1.0
  S  S26  1  0.750  0.978  0.284  1.0
  S  S27  1  0.250  0.022  0.716  1.0
[/CIF]
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