The compound described by Sr3Co2Cu2S2O5 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Co(1)O5 square pyramids. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to four equivalent S(1) and four equivalent O(1) atoms. Co(1) is bonded to one O(2) and four equivalent O(1) atoms to form CoO5 square pyramids that share corners with five equivalent Co(1)O5 square pyramids and faces with four equivalent Sr(1)O12 cuboctahedra. 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 8-coordinate geometry to four equivalent Sr(2) and four equivalent Cu(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3Co2Cu2S2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.880
_cell_length_b   13.880
_cell_length_c   13.880
_cell_angle_alpha   163.729
_cell_angle_beta   163.729
_cell_angle_gamma   23.090
_symmetry_Int_Tables_number   1
_cell_volume   209.894
_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  0.500  0.500  0.000  1.0
  Sr  Sr1  1  0.637  0.637  0.000  1.0
  Sr  Sr2  1  0.363  0.363  0.000  1.0
  Co  Co3  1  0.071  0.071  0.000  1.0
  Co  Co4  1  0.929  0.929  0.000  1.0
  Cu  Cu5  1  0.750  0.250  0.500  1.0
  Cu  Cu6  1  0.250  0.750  0.500  1.0
  S  S7  1  0.200  0.200  0.000  1.0
  S  S8  1  0.800  0.800  0.000  1.0
  O  O9  1  0.581  0.081  0.500  1.0
  O  O10  1  0.081  0.581  0.500  1.0
  O  O11  1  0.419  0.919  0.500  1.0
  O  O12  1  0.919  0.419  0.500  1.0
  O  O13  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Sr3Co2Cu2S2O5 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Co(1)O5 square pyramids. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to four equivalent S(1) and four equivalent O(1) atoms. Co(1) is bonded to one O(2) and four equivalent O(1) atoms to form CoO5 square pyramids that share corners with five equivalent Co(1)O5 square pyramids and faces with four equivalent Sr(1)O12 cuboctahedra. 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 8-coordinate geometry to four equivalent Sr(2) and four equivalent Cu(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3Co2Cu2S2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.880
_cell_length_b   13.880
_cell_length_c   13.880
_cell_angle_alpha   163.729
_cell_angle_beta   163.729
_cell_angle_gamma   23.090
_symmetry_Int_Tables_number   1
_cell_volume   209.894
_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  0.500  0.500  0.000  1.0
  Sr  Sr1  1  0.637  0.637  0.000  1.0
  Sr  Sr2  1  0.363  0.363  0.000  1.0
  Co  Co3  1  0.071  0.071  0.000  1.0
  Co  Co4  1  0.929  0.929  0.000  1.0
  Cu  Cu5  1  0.750  0.250  0.500  1.0
  Cu  Cu6  1  0.250  0.750  0.500  1.0
  S  S7  1  0.200  0.200  0.000  1.0
  S  S8  1  0.800  0.800  0.000  1.0
  O  O9  1  0.581  0.081  0.500  1.0
  O  O10  1  0.081  0.581  0.500  1.0
  O  O11  1  0.419  0.919  0.500  1.0
  O  O12  1  0.919  0.419  0.500  1.0
  O  O13  1  0.000  0.000  0.000  1.0
[/CIF]
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