The crystal structure described by Sr3Co2S2O5 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)SO5 octahedra. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to five equivalent S(1) and four equivalent O(1) atoms. Co(1) is bonded to one S(1), one O(2), and four equivalent O(1) atoms to form distorted CoSO5 octahedra that share corners with five equivalent Co(1)SO5 octahedra and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. S(1) is bonded in a 6-coordinate geometry to five equivalent Sr(2) and one Co(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Co(1) atoms to form a mixture of distorted edge, corner, and face-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3Co2S2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.658
_cell_length_b   11.658
_cell_length_c   11.658
_cell_angle_alpha   160.294
_cell_angle_beta   160.294
_cell_angle_gamma   28.010
_symmetry_Int_Tables_number   1
_cell_volume   180.089
_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  0.659  0.659  0.000  1.0
  Sr  Sr2  1  0.341  0.341  0.000  1.0
  Co  Co3  1  0.084  0.084  0.000  1.0
  Co  Co4  1  0.916  0.916  0.000  1.0
  S  S5  1  0.191  0.191  0.000  1.0
  S  S6  1  0.809  0.809  0.000  1.0
  O  O7  1  0.585  0.085  0.500  1.0
  O  O8  1  0.085  0.585  0.500  1.0
  O  O9  1  0.415  0.915  0.500  1.0
  O  O10  1  0.915  0.415  0.500  1.0
  O  O11  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Sr3Co2S2O5 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)SO5 octahedra. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to five equivalent S(1) and four equivalent O(1) atoms. Co(1) is bonded to one S(1), one O(2), and four equivalent O(1) atoms to form distorted CoSO5 octahedra that share corners with five equivalent Co(1)SO5 octahedra and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. S(1) is bonded in a 6-coordinate geometry to five equivalent Sr(2) and one Co(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Co(1) atoms to form a mixture of distorted edge, corner, and face-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3Co2S2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.658
_cell_length_b   11.658
_cell_length_c   11.658
_cell_angle_alpha   160.294
_cell_angle_beta   160.294
_cell_angle_gamma   28.010
_symmetry_Int_Tables_number   1
_cell_volume   180.089
_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  0.659  0.659  0.000  1.0
  Sr  Sr2  1  0.341  0.341  0.000  1.0
  Co  Co3  1  0.084  0.084  0.000  1.0
  Co  Co4  1  0.916  0.916  0.000  1.0
  S  S5  1  0.191  0.191  0.000  1.0
  S  S6  1  0.809  0.809  0.000  1.0
  O  O7  1  0.585  0.085  0.500  1.0
  O  O8  1  0.085  0.585  0.500  1.0
  O  O9  1  0.415  0.915  0.500  1.0
  O  O10  1  0.915  0.415  0.500  1.0
  O  O11  1  0.000  0.000  0.000  1.0
[/CIF]
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