The compound described by Sr3Cr2S2O5 crystallizes in the orthorhombic Immm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) 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 Cr(1)SO5 octahedra. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to five equivalent S(1), two equivalent O(1), and two equivalent O(2) atoms. Cr(1) is bonded to one S(1), one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted CrSO5 octahedra that share corners with five equivalent Cr(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 Cr(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Cr(1) atoms to form a mixture of distorted corner, face, and edge-sharing OSr4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Cr(1) atoms to form a mixture of distorted corner, face, and edge-sharing OSr4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_Sr3Cr2S2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.104
_cell_length_b   3.922
_cell_length_c   11.659
_cell_angle_alpha   99.683
_cell_angle_beta   100.137
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   182.018
_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  0.663  0.663  0.325  1.0
  Sr  Sr2  1  0.337  0.337  0.675  1.0
  Cr  Cr3  1  0.084  0.084  0.169  1.0
  Cr  Cr4  1  0.916  0.916  0.831  1.0
  S  S5  1  0.194  0.194  0.388  1.0
  S  S6  1  0.806  0.806  0.612  1.0
  O  O7  1  0.085  0.585  0.171  1.0
  O  O8  1  0.585  0.085  0.170  1.0
  O  O9  1  0.915  0.415  0.829  1.0
  O  O10  1  0.415  0.915  0.830  1.0
  O  O11  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Sr3Cr2S2O5 crystallizes in the orthorhombic Immm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) 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 Cr(1)SO5 octahedra. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to five equivalent S(1), two equivalent O(1), and two equivalent O(2) atoms. Cr(1) is bonded to one S(1), one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted CrSO5 octahedra that share corners with five equivalent Cr(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 Cr(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Cr(1) atoms to form a mixture of distorted corner, face, and edge-sharing OSr4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Cr(1) atoms to form a mixture of distorted corner, face, and edge-sharing OSr4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_Sr3Cr2S2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.104
_cell_length_b   3.922
_cell_length_c   11.659
_cell_angle_alpha   99.683
_cell_angle_beta   100.137
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   182.018
_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  0.663  0.663  0.325  1.0
  Sr  Sr2  1  0.337  0.337  0.675  1.0
  Cr  Cr3  1  0.084  0.084  0.169  1.0
  Cr  Cr4  1  0.916  0.916  0.831  1.0
  S  S5  1  0.194  0.194  0.388  1.0
  S  S6  1  0.806  0.806  0.612  1.0
  O  O7  1  0.085  0.585  0.171  1.0
  O  O8  1  0.585  0.085  0.170  1.0
  O  O9  1  0.915  0.415  0.829  1.0
  O  O10  1  0.415  0.915  0.830  1.0
  O  O11  1  0.000  0.000  0.000  1.0
[/CIF]
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