The compound described by Sr2MnCu2(SO)2 crystallizes in the tetragonal I4/mmm space group. Sr(1) is bonded in a 4-coordinate geometry to four equivalent S(1) and four equivalent O(1) atoms. Mn(1) is bonded in a square co-planar geometry to two equivalent S(1) and four equivalent O(1) atoms. Cu(1) is bonded to four equivalent S(1) atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. S(1) is bonded in a 9-coordinate geometry to four equivalent Sr(1), one Mn(1), and four equivalent Cu(1) atoms. O(1) is bonded to four equivalent Sr(1) and two equivalent Mn(1) atoms to form a mixture of corner, face, and edge-sharing OSr4Mn2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Sr2MnCu2(SO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.114
_cell_length_b   4.114
_cell_length_c   9.252
_cell_angle_alpha   77.152
_cell_angle_beta   77.150
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   148.681
_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
  Cu  Cu0  1  0.250  0.750  0.500  1.0
  Cu  Cu1  1  0.750  0.250  0.500  1.0
  Mn  Mn2  1  0.000  1.000  1.000  1.0
  O  O3  1  0.000  0.500  0.000  1.0
  O  O4  1  0.500  1.000  0.000  1.0
  S  S5  1  0.825  0.825  0.349  1.0
  S  S6  1  0.175  0.175  0.651  1.0
  Sr  Sr7  1  0.593  0.593  0.814  1.0
  Sr  Sr8  1  0.407  0.407  0.186  1.0
[/CIF]
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The compound described by Sr2MnCu2(SO)2 crystallizes in the tetragonal I4/mmm space group. Sr(1) is bonded in a 4-coordinate geometry to four equivalent S(1) and four equivalent O(1) atoms. Mn(1) is bonded in a square co-planar geometry to two equivalent S(1) and four equivalent O(1) atoms. Cu(1) is bonded to four equivalent S(1) atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. S(1) is bonded in a 9-coordinate geometry to four equivalent Sr(1), one Mn(1), and four equivalent Cu(1) atoms. O(1) is bonded to four equivalent Sr(1) and two equivalent Mn(1) atoms to form a mixture of corner, face, and edge-sharing OSr4Mn2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Sr2MnCu2(SO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.114
_cell_length_b   4.114
_cell_length_c   9.252
_cell_angle_alpha   77.152
_cell_angle_beta   77.150
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   148.681
_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
  Cu  Cu0  1  0.250  0.750  0.500  1.0
  Cu  Cu1  1  0.750  0.250  0.500  1.0
  Mn  Mn2  1  0.000  1.000  1.000  1.0
  O  O3  1  0.000  0.500  0.000  1.0
  O  O4  1  0.500  1.000  0.000  1.0
  S  S5  1  0.825  0.825  0.349  1.0
  S  S6  1  0.175  0.175  0.651  1.0
  Sr  Sr7  1  0.593  0.593  0.814  1.0
  Sr  Sr8  1  0.407  0.407  0.186  1.0
[/CIF]
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