The material structure described by BaEuFeCuO5 crystallizes in the tetragonal P4mm space group. Ba(1) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. Eu(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Fe(1) is bonded to one O(3) and four equivalent O(1) atoms to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Cu(1)O5 square pyramid and corners with four equivalent Fe(1)O5 trigonal bipyramids. Cu(1) is bonded to one O(3) and four equivalent O(2) atoms to form CuO5 square pyramids that share corners with four equivalent Cu(1)O5 square pyramids and  a cornercorner with one Fe(1)O5 trigonal bipyramid. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Eu(1), and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Eu(1), and two equivalent Cu(1) atoms. In the third O site, O(3) is bonded to four equivalent Ba(1), one Fe(1), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing OBa4FeCu octahedra. The corner-sharing octahedral tilt angles are 13°. is represented by the CIF card [CIF]
data_BaEuFeCuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.930
_cell_length_b   3.930
_cell_length_c   7.881
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   121.746
_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
  Ba  Ba0  1  0.000  0.000  0.025  1.0
  Eu  Eu1  1  0.000  0.000  0.499  1.0
  Fe  Fe2  1  0.500  0.500  0.749  1.0
  Cu  Cu3  1  0.500  0.500  0.277  1.0
  O  O4  1  0.000  0.500  0.688  1.0
  O  O5  1  0.500  0.000  0.688  1.0
  O  O6  1  0.000  0.500  0.304  1.0
  O  O7  1  0.500  0.000  0.304  1.0
  O  O8  1  0.500  0.500  0.985  1.0
[/CIF]
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The material structure described by BaEuFeCuO5 crystallizes in the tetragonal P4mm space group. Ba(1) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. Eu(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Fe(1) is bonded to one O(3) and four equivalent O(1) atoms to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Cu(1)O5 square pyramid and corners with four equivalent Fe(1)O5 trigonal bipyramids. Cu(1) is bonded to one O(3) and four equivalent O(2) atoms to form CuO5 square pyramids that share corners with four equivalent Cu(1)O5 square pyramids and  a cornercorner with one Fe(1)O5 trigonal bipyramid. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Eu(1), and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Eu(1), and two equivalent Cu(1) atoms. In the third O site, O(3) is bonded to four equivalent Ba(1), one Fe(1), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing OBa4FeCu octahedra. The corner-sharing octahedral tilt angles are 13°. is represented by the CIF card [CIF]
data_BaEuFeCuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.930
_cell_length_b   3.930
_cell_length_c   7.881
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   121.746
_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
  Ba  Ba0  1  0.000  0.000  0.025  1.0
  Eu  Eu1  1  0.000  0.000  0.499  1.0
  Fe  Fe2  1  0.500  0.500  0.749  1.0
  Cu  Cu3  1  0.500  0.500  0.277  1.0
  O  O4  1  0.000  0.500  0.688  1.0
  O  O5  1  0.500  0.000  0.688  1.0
  O  O6  1  0.000  0.500  0.304  1.0
  O  O7  1  0.500  0.000  0.304  1.0
  O  O8  1  0.500  0.500  0.985  1.0
[/CIF]
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