The material described by Sr2Cu2O5 crystallizes in the orthorhombic Ima2 space group. Sr(1) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(1), and four equivalent O(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CuO6 octahedra that share corners with four equivalent Cu(1)O6 octahedra and corners with two equivalent Cu(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 4°. In the second Cu site, Cu(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form CuO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra and corners with two equivalent Cu(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 21°. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1) and two equivalent Cu(1) atoms to form distorted OSr4Cu2 octahedra that share corners with two equivalent O(1)Sr4Cu2 octahedra, corners with four equivalent O(3)Sr2Cu2 trigonal pyramids, edges with two equivalent O(1)Sr4Cu2 octahedra, and faces with four equivalent O(1)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Cu(1), and one Cu(2) atom. In the third O site, O(3) is bonded to two equivalent Sr(1) and two equivalent Cu(2) atoms to form distorted OSr2Cu2 trigonal pyramids that share corners with eight equivalent O(1)Sr4Cu2 octahedra and corners with two equivalent O(3)Sr2Cu2 trigonal pyramids. The corner-sharing octahedral tilt angles range from 20-76°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2Cu2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.860
_cell_length_b   8.860
_cell_length_c   8.860
_cell_angle_alpha   143.712
_cell_angle_beta   143.640
_cell_angle_gamma   52.312
_symmetry_Int_Tables_number   1
_cell_volume   242.653
_cell_formula_units_Z   2
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  0.386  0.885  0.490  1.0
  Sr  Sr1  1  0.605  0.115  0.501  1.0
  Sr  Sr2  1  0.886  0.396  0.501  1.0
  Sr  Sr3  1  0.105  0.604  0.490  1.0
  Cu  Cu4  1  0.995  0.000  0.995  1.0
  Cu  Cu5  1  0.495  0.500  0.995  1.0
  Cu  Cu6  1  0.776  0.806  0.082  1.0
  Cu  Cu7  1  0.276  0.194  0.969  1.0
  O  O8  1  0.752  0.752  0.495  1.0
  O  O9  1  0.743  0.248  1.000  1.0
  O  O10  1  0.252  0.757  1.000  1.0
  O  O11  1  0.243  0.243  0.495  1.0
  O  O12  1  0.851  0.830  0.957  1.0
  O  O13  1  0.127  0.170  0.021  1.0
  O  O14  1  0.351  0.393  0.021  1.0
  O  O15  1  0.627  0.607  0.957  1.0
  O  O16  1  0.101  0.889  0.490  1.0
  O  O17  1  0.601  0.111  0.212  1.0
[/CIF]
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The material described by Sr2Cu2O5 crystallizes in the orthorhombic Ima2 space group. Sr(1) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(1), and four equivalent O(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CuO6 octahedra that share corners with four equivalent Cu(1)O6 octahedra and corners with two equivalent Cu(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 4°. In the second Cu site, Cu(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form CuO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra and corners with two equivalent Cu(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 21°. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1) and two equivalent Cu(1) atoms to form distorted OSr4Cu2 octahedra that share corners with two equivalent O(1)Sr4Cu2 octahedra, corners with four equivalent O(3)Sr2Cu2 trigonal pyramids, edges with two equivalent O(1)Sr4Cu2 octahedra, and faces with four equivalent O(1)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Cu(1), and one Cu(2) atom. In the third O site, O(3) is bonded to two equivalent Sr(1) and two equivalent Cu(2) atoms to form distorted OSr2Cu2 trigonal pyramids that share corners with eight equivalent O(1)Sr4Cu2 octahedra and corners with two equivalent O(3)Sr2Cu2 trigonal pyramids. The corner-sharing octahedral tilt angles range from 20-76°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2Cu2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.860
_cell_length_b   8.860
_cell_length_c   8.860
_cell_angle_alpha   143.712
_cell_angle_beta   143.640
_cell_angle_gamma   52.312
_symmetry_Int_Tables_number   1
_cell_volume   242.653
_cell_formula_units_Z   2
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  0.386  0.885  0.490  1.0
  Sr  Sr1  1  0.605  0.115  0.501  1.0
  Sr  Sr2  1  0.886  0.396  0.501  1.0
  Sr  Sr3  1  0.105  0.604  0.490  1.0
  Cu  Cu4  1  0.995  0.000  0.995  1.0
  Cu  Cu5  1  0.495  0.500  0.995  1.0
  Cu  Cu6  1  0.776  0.806  0.082  1.0
  Cu  Cu7  1  0.276  0.194  0.969  1.0
  O  O8  1  0.752  0.752  0.495  1.0
  O  O9  1  0.743  0.248  1.000  1.0
  O  O10  1  0.252  0.757  1.000  1.0
  O  O11  1  0.243  0.243  0.495  1.0
  O  O12  1  0.851  0.830  0.957  1.0
  O  O13  1  0.127  0.170  0.021  1.0
  O  O14  1  0.351  0.393  0.021  1.0
  O  O15  1  0.627  0.607  0.957  1.0
  O  O16  1  0.101  0.889  0.490  1.0
  O  O17  1  0.601  0.111  0.212  1.0
[/CIF]
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