The material structure described by Sr2SO is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent S(1) and four equivalent O(1) atoms to form SrS2O4 octahedra that share corners with six equivalent Sr(1)S2O4 octahedra, edges with four equivalent Sr(1)S2O4 octahedra, and edges with eight equivalent Sr(2)S4O2 octahedra. The corner-sharing octahedra are not tilted. In the second Sr site, Sr(2) is bonded to four equivalent S(1) and two equivalent O(1) atoms to form SrS4O2 octahedra that share corners with six equivalent Sr(2)S4O2 octahedra, edges with four equivalent Sr(2)S4O2 octahedra, and edges with eight equivalent Sr(1)S2O4 octahedra. The corner-sharing octahedra are not tilted. S(1) is bonded to two equivalent Sr(1) and four equivalent Sr(2) atoms to form SSr6 octahedra that share corners with six equivalent S(1)Sr6 octahedra, edges with four equivalent S(1)Sr6 octahedra, and edges with eight equivalent O(1)Sr6 octahedra. The corner-sharing octahedra are not tilted. O(1) is bonded to two equivalent Sr(2) and four equivalent Sr(1) atoms to form OSr6 octahedra that share corners with six equivalent O(1)Sr6 octahedra, edges with four equivalent O(1)Sr6 octahedra, and edges with eight equivalent S(1)Sr6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Sr2SO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.043
_cell_length_b   4.043
_cell_length_c   5.718
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   93.477
_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
  Sr  Sr0  1  0.000  0.000  0.000  1.0
  Sr  Sr1  1  0.500  0.500  0.500  1.0
  S  S2  1  0.000  0.000  0.500  1.0
  O  O3  1  0.500  0.500  0.000  1.0
[/CIF]
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The material structure described by Sr2SO is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent S(1) and four equivalent O(1) atoms to form SrS2O4 octahedra that share corners with six equivalent Sr(1)S2O4 octahedra, edges with four equivalent Sr(1)S2O4 octahedra, and edges with eight equivalent Sr(2)S4O2 octahedra. The corner-sharing octahedra are not tilted. In the second Sr site, Sr(2) is bonded to four equivalent S(1) and two equivalent O(1) atoms to form SrS4O2 octahedra that share corners with six equivalent Sr(2)S4O2 octahedra, edges with four equivalent Sr(2)S4O2 octahedra, and edges with eight equivalent Sr(1)S2O4 octahedra. The corner-sharing octahedra are not tilted. S(1) is bonded to two equivalent Sr(1) and four equivalent Sr(2) atoms to form SSr6 octahedra that share corners with six equivalent S(1)Sr6 octahedra, edges with four equivalent S(1)Sr6 octahedra, and edges with eight equivalent O(1)Sr6 octahedra. The corner-sharing octahedra are not tilted. O(1) is bonded to two equivalent Sr(2) and four equivalent Sr(1) atoms to form OSr6 octahedra that share corners with six equivalent O(1)Sr6 octahedra, edges with four equivalent O(1)Sr6 octahedra, and edges with eight equivalent S(1)Sr6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Sr2SO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.043
_cell_length_b   4.043
_cell_length_c   5.718
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   93.477
_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
  Sr  Sr0  1  0.000  0.000  0.000  1.0
  Sr  Sr1  1  0.500  0.500  0.500  1.0
  S  S2  1  0.000  0.000  0.500  1.0
  O  O3  1  0.500  0.500  0.000  1.0
[/CIF]
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