The structure described by BaLaFe2Cu2O11 crystallizes in the orthorhombic Pmm2 space group. Ba(1) is bonded to two equivalent O(2), two equivalent O(4), four equivalent O(1), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, faces with two equivalent Cu(2)O6 octahedra, faces with two equivalent Fe(2)O5 square pyramids, and faces with two equivalent Cu(1)O5 square pyramids. La(1) is bonded to two equivalent O(2), two equivalent O(4), four equivalent O(1), and four equivalent O(3) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Cu(2)O6 octahedra, faces with two equivalent Fe(2)O5 square pyramids, and faces with two equivalent Cu(1)O5 square pyramids. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one O(2), one O(5), and four equivalent O(1) atoms. In the second Fe site, Fe(2) is bonded to one O(4) and four equivalent O(3) atoms to form FeO5 square pyramids that share corners with four equivalent Cu(2)O6 octahedra,  a cornercorner with one Cu(1)O5 square pyramid, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 6°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(4) and four equivalent O(1) atoms to form CuO5 square pyramids that share  a cornercorner with one Fe(2)O5 square pyramid, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent La(1)O12 cuboctahedra. In the second Cu site, Cu(2) is bonded to one O(2), one O(5), and four equivalent O(3) atoms to form CuO6 octahedra that share corners with four equivalent Fe(2)O5 square pyramids, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent La(1)O12 cuboctahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one La(1), one Fe(1), and one Cu(1) atom. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent La(1), one Fe(1), and one Cu(2) atom to form a mixture of distorted corner and edge-sharing OBa2La2FeCu octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the third O site, O(3) is bonded in a distorted linear geometry to one Ba(1), one La(1), one Fe(2), and one Cu(2) atom. In the fourth O site, O(4) is bonded to two equivalent Ba(1), two equivalent La(1), one Fe(2), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing OBa2La2FeCu octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the fifth O site, O(5) is bonded in a linear geometry to one Fe(1) and one Cu(2) atom. is represented by the CIF card [CIF]
data_BaLaFe2Cu2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.393
_cell_length_b   5.410
_cell_length_c   8.219
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   239.803
_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  0.500  0.752  1.0
  La  La1  1  0.500  0.000  0.760  1.0
  Fe  Fe2  1  0.500  0.500  0.043  1.0
  Fe  Fe3  1  0.000  0.000  0.504  1.0
  Cu  Cu4  1  0.000  0.000  0.016  1.0
  Cu  Cu5  1  0.500  0.500  0.487  1.0
  O  O6  1  0.744  0.764  0.987  1.0
  O  O7  1  0.256  0.764  0.987  1.0
  O  O8  1  0.500  0.500  0.734  1.0
  O  O9  1  0.252  0.231  0.502  1.0
  O  O10  1  0.000  0.000  0.737  1.0
  O  O11  1  0.252  0.769  0.502  1.0
  O  O12  1  0.748  0.231  0.502  1.0
  O  O13  1  0.748  0.769  0.502  1.0
  O  O14  1  0.500  0.500  0.262  1.0
  O  O15  1  0.744  0.236  0.987  1.0
  O  O16  1  0.256  0.236  0.987  1.0
[/CIF]
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The structure described by BaLaFe2Cu2O11 crystallizes in the orthorhombic Pmm2 space group. Ba(1) is bonded to two equivalent O(2), two equivalent O(4), four equivalent O(1), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, faces with two equivalent Cu(2)O6 octahedra, faces with two equivalent Fe(2)O5 square pyramids, and faces with two equivalent Cu(1)O5 square pyramids. La(1) is bonded to two equivalent O(2), two equivalent O(4), four equivalent O(1), and four equivalent O(3) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Cu(2)O6 octahedra, faces with two equivalent Fe(2)O5 square pyramids, and faces with two equivalent Cu(1)O5 square pyramids. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one O(2), one O(5), and four equivalent O(1) atoms. In the second Fe site, Fe(2) is bonded to one O(4) and four equivalent O(3) atoms to form FeO5 square pyramids that share corners with four equivalent Cu(2)O6 octahedra,  a cornercorner with one Cu(1)O5 square pyramid, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 6°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(4) and four equivalent O(1) atoms to form CuO5 square pyramids that share  a cornercorner with one Fe(2)O5 square pyramid, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent La(1)O12 cuboctahedra. In the second Cu site, Cu(2) is bonded to one O(2), one O(5), and four equivalent O(3) atoms to form CuO6 octahedra that share corners with four equivalent Fe(2)O5 square pyramids, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent La(1)O12 cuboctahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one La(1), one Fe(1), and one Cu(1) atom. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent La(1), one Fe(1), and one Cu(2) atom to form a mixture of distorted corner and edge-sharing OBa2La2FeCu octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the third O site, O(3) is bonded in a distorted linear geometry to one Ba(1), one La(1), one Fe(2), and one Cu(2) atom. In the fourth O site, O(4) is bonded to two equivalent Ba(1), two equivalent La(1), one Fe(2), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing OBa2La2FeCu octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the fifth O site, O(5) is bonded in a linear geometry to one Fe(1) and one Cu(2) atom. is represented by the CIF card [CIF]
data_BaLaFe2Cu2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.393
_cell_length_b   5.410
_cell_length_c   8.219
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   239.803
_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  0.500  0.752  1.0
  La  La1  1  0.500  0.000  0.760  1.0
  Fe  Fe2  1  0.500  0.500  0.043  1.0
  Fe  Fe3  1  0.000  0.000  0.504  1.0
  Cu  Cu4  1  0.000  0.000  0.016  1.0
  Cu  Cu5  1  0.500  0.500  0.487  1.0
  O  O6  1  0.744  0.764  0.987  1.0
  O  O7  1  0.256  0.764  0.987  1.0
  O  O8  1  0.500  0.500  0.734  1.0
  O  O9  1  0.252  0.231  0.502  1.0
  O  O10  1  0.000  0.000  0.737  1.0
  O  O11  1  0.252  0.769  0.502  1.0
  O  O12  1  0.748  0.231  0.502  1.0
  O  O13  1  0.748  0.769  0.502  1.0
  O  O14  1  0.500  0.500  0.262  1.0
  O  O15  1  0.744  0.236  0.987  1.0
  O  O16  1  0.256  0.236  0.987  1.0
[/CIF]
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