The crystal structure described by Sr2YFeCu2O7 crystallizes in the orthorhombic Ima2 space group. Sr(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. Y(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. Fe(1) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form FeO4 tetrahedra that share corners with two equivalent Cu(1)O5 square pyramids and corners with two equivalent Fe(1)O4 tetrahedra. Cu(1) is bonded to one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted CuO5 square pyramids that share corners with four equivalent Cu(1)O5 square pyramids and  a cornercorner with one Fe(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Fe(1), and one Cu(1) atom. In the second O site, O(1) is bonded to two equivalent Sr(1) and two equivalent Fe(1) atoms to form distorted OSr2Fe2 tetrahedra that share corners with four equivalent O(2)Sr2Y2Cu2 octahedra, corners with four equivalent O(3)Sr2Y2Cu2 octahedra, and corners with two equivalent O(1)Sr2Fe2 tetrahedra. The corner-sharing octahedral tilt angles range from 22-66°. In the third O site, O(2) is bonded to two equivalent Sr(1), two equivalent Y(1), and two equivalent Cu(1) atoms to form distorted OSr2Y2Cu2 octahedra that share corners with four equivalent O(2)Sr2Y2Cu2 octahedra, corners with four equivalent O(3)Sr2Y2Cu2 octahedra, corners with two equivalent O(1)Sr2Fe2 tetrahedra, edges with three equivalent O(3)Sr2Y2Cu2 octahedra, faces with two equivalent O(2)Sr2Y2Cu2 octahedra, and faces with two equivalent O(3)Sr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-70°. In the fourth O site, O(3) is bonded to two equivalent Sr(1), two equivalent Y(1), and two equivalent Cu(1) atoms to form distorted OSr2Y2Cu2 octahedra that share corners with four equivalent O(2)Sr2Y2Cu2 octahedra, corners with four equivalent O(3)Sr2Y2Cu2 octahedra, corners with two equivalent O(1)Sr2Fe2 tetrahedra, edges with three equivalent O(2)Sr2Y2Cu2 octahedra, faces with two equivalent O(2)Sr2Y2Cu2 octahedra, and faces with two equivalent O(3)Sr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-70°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2YFeCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.287
_cell_length_b   12.287
_cell_length_c   12.287
_cell_angle_alpha   154.479
_cell_angle_beta   154.017
_cell_angle_gamma   36.741
_symmetry_Int_Tables_number   1
_cell_volume   349.691
_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  0.135  0.639  0.472  1.0
  Sr  Sr1  1  0.865  0.337  0.504  1.0
  Sr  Sr2  1  0.667  0.139  0.504  1.0
  Sr  Sr3  1  0.333  0.837  0.472  1.0
  Y  Y4  1  0.500  0.985  0.485  1.0
  Y  Y5  1  0.000  0.485  0.485  1.0
  Fe  Fe6  1  0.684  0.776  0.960  1.0
  Fe  Fe7  1  0.316  0.276  0.092  1.0
  Cu  Cu8  1  0.072  0.054  0.985  1.0
  Cu  Cu9  1  0.928  0.913  0.982  1.0
  Cu  Cu10  1  0.570  0.554  0.982  1.0
  Cu  Cu11  1  0.430  0.413  0.985  1.0
  O  O12  1  0.359  0.635  0.494  1.0
  O  O13  1  0.641  0.135  0.276  1.0
  O  O14  1  0.818  0.301  0.996  1.0
  O  O15  1  0.182  0.178  0.483  1.0
  O  O16  1  0.805  0.801  0.483  1.0
  O  O17  1  0.195  0.678  0.996  1.0
  O  O18  1  0.308  0.791  0.973  1.0
  O  O19  1  0.692  0.664  0.483  1.0
  O  O20  1  0.319  0.291  0.483  1.0
  O  O21  1  0.681  0.164  0.973  1.0
  O  O22  1  0.719  0.637  0.005  1.0
  O  O23  1  0.281  0.286  0.917  1.0
  O  O24  1  0.131  0.137  0.917  1.0
  O  O25  1  0.869  0.786  0.005  1.0
[/CIF]
.
The crystal structure described by Sr2YFeCu2O7 crystallizes in the orthorhombic Ima2 space group. Sr(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. Y(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. Fe(1) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form FeO4 tetrahedra that share corners with two equivalent Cu(1)O5 square pyramids and corners with two equivalent Fe(1)O4 tetrahedra. Cu(1) is bonded to one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted CuO5 square pyramids that share corners with four equivalent Cu(1)O5 square pyramids and  a cornercorner with one Fe(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Fe(1), and one Cu(1) atom. In the second O site, O(1) is bonded to two equivalent Sr(1) and two equivalent Fe(1) atoms to form distorted OSr2Fe2 tetrahedra that share corners with four equivalent O(2)Sr2Y2Cu2 octahedra, corners with four equivalent O(3)Sr2Y2Cu2 octahedra, and corners with two equivalent O(1)Sr2Fe2 tetrahedra. The corner-sharing octahedral tilt angles range from 22-66°. In the third O site, O(2) is bonded to two equivalent Sr(1), two equivalent Y(1), and two equivalent Cu(1) atoms to form distorted OSr2Y2Cu2 octahedra that share corners with four equivalent O(2)Sr2Y2Cu2 octahedra, corners with four equivalent O(3)Sr2Y2Cu2 octahedra, corners with two equivalent O(1)Sr2Fe2 tetrahedra, edges with three equivalent O(3)Sr2Y2Cu2 octahedra, faces with two equivalent O(2)Sr2Y2Cu2 octahedra, and faces with two equivalent O(3)Sr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-70°. In the fourth O site, O(3) is bonded to two equivalent Sr(1), two equivalent Y(1), and two equivalent Cu(1) atoms to form distorted OSr2Y2Cu2 octahedra that share corners with four equivalent O(2)Sr2Y2Cu2 octahedra, corners with four equivalent O(3)Sr2Y2Cu2 octahedra, corners with two equivalent O(1)Sr2Fe2 tetrahedra, edges with three equivalent O(2)Sr2Y2Cu2 octahedra, faces with two equivalent O(2)Sr2Y2Cu2 octahedra, and faces with two equivalent O(3)Sr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-70°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2YFeCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.287
_cell_length_b   12.287
_cell_length_c   12.287
_cell_angle_alpha   154.479
_cell_angle_beta   154.017
_cell_angle_gamma   36.741
_symmetry_Int_Tables_number   1
_cell_volume   349.691
_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  0.135  0.639  0.472  1.0
  Sr  Sr1  1  0.865  0.337  0.504  1.0
  Sr  Sr2  1  0.667  0.139  0.504  1.0
  Sr  Sr3  1  0.333  0.837  0.472  1.0
  Y  Y4  1  0.500  0.985  0.485  1.0
  Y  Y5  1  0.000  0.485  0.485  1.0
  Fe  Fe6  1  0.684  0.776  0.960  1.0
  Fe  Fe7  1  0.316  0.276  0.092  1.0
  Cu  Cu8  1  0.072  0.054  0.985  1.0
  Cu  Cu9  1  0.928  0.913  0.982  1.0
  Cu  Cu10  1  0.570  0.554  0.982  1.0
  Cu  Cu11  1  0.430  0.413  0.985  1.0
  O  O12  1  0.359  0.635  0.494  1.0
  O  O13  1  0.641  0.135  0.276  1.0
  O  O14  1  0.818  0.301  0.996  1.0
  O  O15  1  0.182  0.178  0.483  1.0
  O  O16  1  0.805  0.801  0.483  1.0
  O  O17  1  0.195  0.678  0.996  1.0
  O  O18  1  0.308  0.791  0.973  1.0
  O  O19  1  0.692  0.664  0.483  1.0
  O  O20  1  0.319  0.291  0.483  1.0
  O  O21  1  0.681  0.164  0.973  1.0
  O  O22  1  0.719  0.637  0.005  1.0
  O  O23  1  0.281  0.286  0.917  1.0
  O  O24  1  0.131  0.137  0.917  1.0
  O  O25  1  0.869  0.786  0.005  1.0
[/CIF]
.