The structure described by Sr3MgCr2S2O5 crystallizes in the tetragonal I-4m2 space group. There are three 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)O5 square pyramids. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to four equivalent S(1), two equivalent O(1), and two equivalent O(2) atoms. In the third Sr site, Sr(2) is bonded in a 8-coordinate geometry to four equivalent S(1), two equivalent O(1), and two equivalent O(2) atoms. Mg(1) is bonded to four equivalent S(1) atoms to form corner-sharing MgS4 tetrahedra. Cr(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form CrO5 square pyramids that share corners with five equivalent Cr(1)O5 square pyramids and faces with four equivalent Sr(1)O12 cuboctahedra. S(1) is bonded in a 6-coordinate geometry to four equivalent Sr(2) and two equivalent Mg(1) atoms. There are three 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 Cr(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Cr(1) atoms. 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 Crystallographic Information File (CIF) [CIF]
data_Sr3MgCr2S2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.821
_cell_length_b   13.821
_cell_length_c   13.821
_cell_angle_alpha   163.501
_cell_angle_beta   163.501
_cell_angle_gamma   23.416
_symmetry_Int_Tables_number   1
_cell_volume   212.882
_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
  Mg  Mg3  1  0.750  0.250  0.500  1.0
  Cr  Cr4  1  0.071  0.071  0.000  1.0
  Cr  Cr5  1  0.929  0.929  0.000  1.0
  S  S6  1  0.193  0.193  0.000  1.0
  S  S7  1  0.807  0.807  0.000  1.0
  O  O8  1  0.079  0.579  0.500  1.0
  O  O9  1  0.580  0.080  0.500  1.0
  O  O10  1  0.920  0.420  0.500  1.0
  O  O11  1  0.421  0.921  0.500  1.0
  O  O12  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by Sr3MgCr2S2O5 crystallizes in the tetragonal I-4m2 space group. There are three 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)O5 square pyramids. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to four equivalent S(1), two equivalent O(1), and two equivalent O(2) atoms. In the third Sr site, Sr(2) is bonded in a 8-coordinate geometry to four equivalent S(1), two equivalent O(1), and two equivalent O(2) atoms. Mg(1) is bonded to four equivalent S(1) atoms to form corner-sharing MgS4 tetrahedra. Cr(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form CrO5 square pyramids that share corners with five equivalent Cr(1)O5 square pyramids and faces with four equivalent Sr(1)O12 cuboctahedra. S(1) is bonded in a 6-coordinate geometry to four equivalent Sr(2) and two equivalent Mg(1) atoms. There are three 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 Cr(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Cr(1) atoms. 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 Crystallographic Information File (CIF) [CIF]
data_Sr3MgCr2S2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.821
_cell_length_b   13.821
_cell_length_c   13.821
_cell_angle_alpha   163.501
_cell_angle_beta   163.501
_cell_angle_gamma   23.416
_symmetry_Int_Tables_number   1
_cell_volume   212.882
_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
  Mg  Mg3  1  0.750  0.250  0.500  1.0
  Cr  Cr4  1  0.071  0.071  0.000  1.0
  Cr  Cr5  1  0.929  0.929  0.000  1.0
  S  S6  1  0.193  0.193  0.000  1.0
  S  S7  1  0.807  0.807  0.000  1.0
  O  O8  1  0.079  0.579  0.500  1.0
  O  O9  1  0.580  0.080  0.500  1.0
  O  O10  1  0.920  0.420  0.500  1.0
  O  O11  1  0.421  0.921  0.500  1.0
  O  O12  1  0.000  0.000  0.000  1.0
[/CIF]
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