The material structure described by Sr2Cu3O5 crystallizes in the orthorhombic Immm space group. Sr(1) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded to one O(1) and four equivalent O(3) atoms to form a mixture of edge and corner-sharing CuO5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Cu(1), and one Cu(2) atom to form OSr4Cu2 octahedra that share corners with four equivalent O(2)Sr4Cu2 octahedra, corners with five equivalent O(1)Sr4Cu2 octahedra, corners with six equivalent O(3)Sr2Cu4 octahedra, edges with four equivalent O(1)Sr4Cu2 octahedra, faces with two equivalent O(3)Sr2Cu4 octahedra, and faces with two equivalent O(2)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Cu(1) atoms to form OSr4Cu2 octahedra that share corners with two equivalent O(2)Sr4Cu2 octahedra, corners with four equivalent O(3)Sr2Cu4 octahedra, corners with eight equivalent O(1)Sr4Cu2 octahedra, edges with two equivalent O(3)Sr2Cu4 octahedra, edges with two equivalent O(2)Sr4Cu2 octahedra, and faces with four equivalent O(1)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the third O site, O(3) is bonded to two equivalent Sr(1) and four equivalent Cu(2) atoms to form distorted OSr2Cu4 octahedra that share corners with two equivalent O(3)Sr2Cu4 octahedra, corners with two equivalent O(2)Sr4Cu2 octahedra, corners with six equivalent O(1)Sr4Cu2 octahedra,  an edgeedge with one O(2)Sr4Cu2 octahedra, edges with six equivalent O(3)Sr2Cu4 octahedra, and faces with two equivalent O(1)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-65°. is represented by the CIF card [CIF]
data_Sr2Cu3O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.711
_cell_length_b   9.711
_cell_length_c   9.711
_cell_angle_alpha   159.478
_cell_angle_beta   156.522
_cell_angle_gamma   31.378
_symmetry_Int_Tables_number   1
_cell_volume   127.822
_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  0.394  0.394  0.000  1.0
  Sr  Sr1  1  0.606  0.606  0.000  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.788  0.788  0.000  1.0
  Cu  Cu4  1  0.212  0.212  0.000  1.0
  O  O5  1  0.104  0.104  0.000  1.0
  O  O6  1  0.896  0.896  0.000  1.0
  O  O7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.281  0.781  0.500  1.0
  O  O9  1  0.719  0.219  0.500  1.0
[/CIF]
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The material structure described by Sr2Cu3O5 crystallizes in the orthorhombic Immm space group. Sr(1) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded to one O(1) and four equivalent O(3) atoms to form a mixture of edge and corner-sharing CuO5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Cu(1), and one Cu(2) atom to form OSr4Cu2 octahedra that share corners with four equivalent O(2)Sr4Cu2 octahedra, corners with five equivalent O(1)Sr4Cu2 octahedra, corners with six equivalent O(3)Sr2Cu4 octahedra, edges with four equivalent O(1)Sr4Cu2 octahedra, faces with two equivalent O(3)Sr2Cu4 octahedra, and faces with two equivalent O(2)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Cu(1) atoms to form OSr4Cu2 octahedra that share corners with two equivalent O(2)Sr4Cu2 octahedra, corners with four equivalent O(3)Sr2Cu4 octahedra, corners with eight equivalent O(1)Sr4Cu2 octahedra, edges with two equivalent O(3)Sr2Cu4 octahedra, edges with two equivalent O(2)Sr4Cu2 octahedra, and faces with four equivalent O(1)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the third O site, O(3) is bonded to two equivalent Sr(1) and four equivalent Cu(2) atoms to form distorted OSr2Cu4 octahedra that share corners with two equivalent O(3)Sr2Cu4 octahedra, corners with two equivalent O(2)Sr4Cu2 octahedra, corners with six equivalent O(1)Sr4Cu2 octahedra,  an edgeedge with one O(2)Sr4Cu2 octahedra, edges with six equivalent O(3)Sr2Cu4 octahedra, and faces with two equivalent O(1)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-65°. is represented by the CIF card [CIF]
data_Sr2Cu3O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.711
_cell_length_b   9.711
_cell_length_c   9.711
_cell_angle_alpha   159.478
_cell_angle_beta   156.522
_cell_angle_gamma   31.378
_symmetry_Int_Tables_number   1
_cell_volume   127.822
_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  0.394  0.394  0.000  1.0
  Sr  Sr1  1  0.606  0.606  0.000  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.788  0.788  0.000  1.0
  Cu  Cu4  1  0.212  0.212  0.000  1.0
  O  O5  1  0.104  0.104  0.000  1.0
  O  O6  1  0.896  0.896  0.000  1.0
  O  O7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.281  0.781  0.500  1.0
  O  O9  1  0.719  0.219  0.500  1.0
[/CIF]
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