The compound described by Sr3Mn2Cu2S2O5 crystallizes in the tetragonal I4mm 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, faces with four equivalent Mn(1)O5 square pyramids, and faces with four equivalent Mn(2)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(2) atoms. In the third Sr site, Sr(3) is bonded in a 4-coordinate geometry to four equivalent S(2) and four equivalent O(3) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1) and four equivalent O(3) atoms to form MnO5 square pyramids that share  a cornercorner with one Mn(2)O5 square pyramid, corners with four equivalent Mn(1)O5 square pyramids, and faces with four equivalent Sr(1)O12 cuboctahedra. In the second Mn site, Mn(2) is bonded to one O(1) and four equivalent O(2) atoms to form MnO5 square pyramids that share  a cornercorner with one Mn(1)O5 square pyramid, corners with four equivalent Mn(2)O5 square pyramids, and faces with four equivalent Sr(1)O12 cuboctahedra. Cu(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form a mixture of edge and corner-sharing CuS4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 8-coordinate geometry to four equivalent Sr(2) and four equivalent Cu(1) atoms. In the second S site, S(2) is bonded in a 8-coordinate geometry to four equivalent Sr(3) and four equivalent Cu(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing OSr4Mn2 octahedra. The corner-sharing octahedra are not tilted. 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 Mn(2) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3Mn2Cu2S2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.921
_cell_length_b   3.920
_cell_length_c   14.037
_cell_angle_alpha   81.962
_cell_angle_beta   81.962
_cell_angle_gamma   89.997
_symmetry_Int_Tables_number   1
_cell_volume   211.503
_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  0.360  0.360  0.281  1.0
  Sr  Sr2  1  0.640  0.640  0.719  1.0
  Mn  Mn3  1  0.073  0.073  0.853  1.0
  Mn  Mn4  1  0.927  0.927  0.147  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  0.801  0.801  0.399  1.0
  S  S8  1  0.199  0.199  0.601  1.0
  O  O9  1  1.000  1.000  0.000  1.0
  O  O10  1  0.916  0.416  0.168  1.0
  O  O11  1  0.416  0.916  0.168  1.0
  O  O12  1  0.084  0.584  0.832  1.0
  O  O13  1  0.584  0.084  0.832  1.0
[/CIF]
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The compound described by Sr3Mn2Cu2S2O5 crystallizes in the tetragonal I4mm 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, faces with four equivalent Mn(1)O5 square pyramids, and faces with four equivalent Mn(2)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(2) atoms. In the third Sr site, Sr(3) is bonded in a 4-coordinate geometry to four equivalent S(2) and four equivalent O(3) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1) and four equivalent O(3) atoms to form MnO5 square pyramids that share  a cornercorner with one Mn(2)O5 square pyramid, corners with four equivalent Mn(1)O5 square pyramids, and faces with four equivalent Sr(1)O12 cuboctahedra. In the second Mn site, Mn(2) is bonded to one O(1) and four equivalent O(2) atoms to form MnO5 square pyramids that share  a cornercorner with one Mn(1)O5 square pyramid, corners with four equivalent Mn(2)O5 square pyramids, and faces with four equivalent Sr(1)O12 cuboctahedra. Cu(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form a mixture of edge and corner-sharing CuS4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 8-coordinate geometry to four equivalent Sr(2) and four equivalent Cu(1) atoms. In the second S site, S(2) is bonded in a 8-coordinate geometry to four equivalent Sr(3) and four equivalent Cu(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing OSr4Mn2 octahedra. The corner-sharing octahedra are not tilted. 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 Mn(2) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3Mn2Cu2S2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.921
_cell_length_b   3.920
_cell_length_c   14.037
_cell_angle_alpha   81.962
_cell_angle_beta   81.962
_cell_angle_gamma   89.997
_symmetry_Int_Tables_number   1
_cell_volume   211.503
_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  0.360  0.360  0.281  1.0
  Sr  Sr2  1  0.640  0.640  0.719  1.0
  Mn  Mn3  1  0.073  0.073  0.853  1.0
  Mn  Mn4  1  0.927  0.927  0.147  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  0.801  0.801  0.399  1.0
  S  S8  1  0.199  0.199  0.601  1.0
  O  O9  1  1.000  1.000  0.000  1.0
  O  O10  1  0.916  0.416  0.168  1.0
  O  O11  1  0.416  0.916  0.168  1.0
  O  O12  1  0.084  0.584  0.832  1.0
  O  O13  1  0.584  0.084  0.832  1.0
[/CIF]
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