The compound described by Sr3Fe2Cu2Se2O5 crystallizes in the monoclinic C2/m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to four equivalent O(1) and eight equivalent O(2) 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 Fe(1)O5 square pyramids. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to four equivalent Se(1) and four equivalent O(2) atoms. Fe(1) is bonded to one O(1) and four equivalent O(2) atoms to form FeO5 square pyramids that share corners with five equivalent Fe(1)O5 square pyramids and faces with four equivalent Sr(1)O12 cuboctahedra. Cu(1) is bonded to four equivalent Se(1) atoms to form a mixture of edge and corner-sharing CuSe4 tetrahedra. Se(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 distorted linear geometry to four equivalent Sr(1) and two equivalent Fe(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 Fe(1) atoms. is represented by the CIF file [CIF]
data_Sr3Fe2Cu2Se2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.009
_cell_length_b   4.009
_cell_length_c   13.868
_cell_angle_alpha   81.711
_cell_angle_beta   98.289
_cell_angle_gamma   90.004
_symmetry_Int_Tables_number   1
_cell_volume   218.186
_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  0.363  0.637  0.725  1.0
  Sr  Sr2  1  0.637  0.363  0.275  1.0
  Fe  Fe3  1  0.070  0.930  0.140  1.0
  Fe  Fe4  1  0.930  0.070  0.860  1.0
  Cu  Cu5  1  0.748  0.748  0.500  1.0
  Cu  Cu6  1  0.252  0.252  0.500  1.0
  Se  Se7  1  0.807  0.193  0.613  1.0
  Se  Se8  1  0.193  0.807  0.387  1.0
  O  O9  1  0.000  1.000  0.000  1.0
  O  O10  1  0.580  0.920  0.159  1.0
  O  O11  1  0.920  0.580  0.841  1.0
  O  O12  1  0.080  0.420  0.159  1.0
  O  O13  1  0.420  0.080  0.841  1.0
[/CIF]
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The compound described by Sr3Fe2Cu2Se2O5 crystallizes in the monoclinic C2/m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to four equivalent O(1) and eight equivalent O(2) 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 Fe(1)O5 square pyramids. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to four equivalent Se(1) and four equivalent O(2) atoms. Fe(1) is bonded to one O(1) and four equivalent O(2) atoms to form FeO5 square pyramids that share corners with five equivalent Fe(1)O5 square pyramids and faces with four equivalent Sr(1)O12 cuboctahedra. Cu(1) is bonded to four equivalent Se(1) atoms to form a mixture of edge and corner-sharing CuSe4 tetrahedra. Se(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 distorted linear geometry to four equivalent Sr(1) and two equivalent Fe(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 Fe(1) atoms. is represented by the CIF file [CIF]
data_Sr3Fe2Cu2Se2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.009
_cell_length_b   4.009
_cell_length_c   13.868
_cell_angle_alpha   81.711
_cell_angle_beta   98.289
_cell_angle_gamma   90.004
_symmetry_Int_Tables_number   1
_cell_volume   218.186
_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  0.363  0.637  0.725  1.0
  Sr  Sr2  1  0.637  0.363  0.275  1.0
  Fe  Fe3  1  0.070  0.930  0.140  1.0
  Fe  Fe4  1  0.930  0.070  0.860  1.0
  Cu  Cu5  1  0.748  0.748  0.500  1.0
  Cu  Cu6  1  0.252  0.252  0.500  1.0
  Se  Se7  1  0.807  0.193  0.613  1.0
  Se  Se8  1  0.193  0.807  0.387  1.0
  O  O9  1  0.000  1.000  0.000  1.0
  O  O10  1  0.580  0.920  0.159  1.0
  O  O11  1  0.920  0.580  0.841  1.0
  O  O12  1  0.080  0.420  0.159  1.0
  O  O13  1  0.420  0.080  0.841  1.0
[/CIF]
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