The structure described by Ba4La2Cu6O13 crystallizes in the orthorhombic Fmmm space group. Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(5), two equivalent O(3), and four equivalent O(4) atoms. La(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(2), one O(4), and two equivalent O(3) atoms to form corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded in a T-shaped geometry to one O(5) and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(5) is bonded in a distorted linear geometry to four equivalent Ba(1) and two equivalent Cu(2) atoms. In the second O site, O(1) is bonded to two equivalent Ba(1), two equivalent La(1), and two equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing OBa2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the third O site, O(2) is bonded to two equivalent Ba(1), two equivalent La(1), and two equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing OBa2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the fourth O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent La(1), and two equivalent Cu(1) atoms. In the fifth O site, O(4) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one Cu(1), and one Cu(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba4La2Cu6O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.673
_cell_length_b   12.649
_cell_length_c   5.604
_cell_angle_alpha   77.453
_cell_angle_beta   76.974
_cell_angle_gamma   25.572
_symmetry_Int_Tables_number   1
_cell_volume   377.574
_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  0.162  0.649  0.838  1.0
  Ba  Ba1  1  0.649  0.162  0.351  1.0
  Ba  Ba2  1  0.838  0.351  0.162  1.0
  Ba  Ba3  1  0.351  0.838  0.649  1.0
  La  La4  1  0.000  0.500  0.000  1.0
  La  La5  1  0.500  0.000  0.500  1.0
  Cu  Cu6  1  0.575  0.073  0.927  1.0
  Cu  Cu7  1  0.073  0.575  0.425  1.0
  Cu  Cu8  1  0.425  0.927  0.073  1.0
  Cu  Cu9  1  0.927  0.425  0.575  1.0
  Cu  Cu10  1  0.263  0.737  0.263  1.0
  Cu  Cu11  1  0.737  0.263  0.737  1.0
  O  O12  1  0.317  0.317  0.683  1.0
  O  O13  1  0.815  0.815  0.185  1.0
  O  O14  1  0.315  0.315  0.185  1.0
  O  O15  1  0.815  0.815  0.685  1.0
  O  O16  1  0.185  0.185  0.815  1.0
  O  O17  1  0.683  0.683  0.317  1.0
  O  O18  1  0.185  0.185  0.315  1.0
  O  O19  1  0.685  0.685  0.815  1.0
  O  O20  1  0.694  0.156  0.844  1.0
  O  O21  1  0.156  0.694  0.306  1.0
  O  O22  1  0.306  0.844  0.156  1.0
  O  O23  1  0.844  0.306  0.694  1.0
  O  O24  1  0.500  0.500  0.500  1.0
[/CIF]
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The structure described by Ba4La2Cu6O13 crystallizes in the orthorhombic Fmmm space group. Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(5), two equivalent O(3), and four equivalent O(4) atoms. La(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(2), one O(4), and two equivalent O(3) atoms to form corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded in a T-shaped geometry to one O(5) and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(5) is bonded in a distorted linear geometry to four equivalent Ba(1) and two equivalent Cu(2) atoms. In the second O site, O(1) is bonded to two equivalent Ba(1), two equivalent La(1), and two equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing OBa2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the third O site, O(2) is bonded to two equivalent Ba(1), two equivalent La(1), and two equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing OBa2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the fourth O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent La(1), and two equivalent Cu(1) atoms. In the fifth O site, O(4) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one Cu(1), and one Cu(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba4La2Cu6O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.673
_cell_length_b   12.649
_cell_length_c   5.604
_cell_angle_alpha   77.453
_cell_angle_beta   76.974
_cell_angle_gamma   25.572
_symmetry_Int_Tables_number   1
_cell_volume   377.574
_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  0.162  0.649  0.838  1.0
  Ba  Ba1  1  0.649  0.162  0.351  1.0
  Ba  Ba2  1  0.838  0.351  0.162  1.0
  Ba  Ba3  1  0.351  0.838  0.649  1.0
  La  La4  1  0.000  0.500  0.000  1.0
  La  La5  1  0.500  0.000  0.500  1.0
  Cu  Cu6  1  0.575  0.073  0.927  1.0
  Cu  Cu7  1  0.073  0.575  0.425  1.0
  Cu  Cu8  1  0.425  0.927  0.073  1.0
  Cu  Cu9  1  0.927  0.425  0.575  1.0
  Cu  Cu10  1  0.263  0.737  0.263  1.0
  Cu  Cu11  1  0.737  0.263  0.737  1.0
  O  O12  1  0.317  0.317  0.683  1.0
  O  O13  1  0.815  0.815  0.185  1.0
  O  O14  1  0.315  0.315  0.185  1.0
  O  O15  1  0.815  0.815  0.685  1.0
  O  O16  1  0.185  0.185  0.815  1.0
  O  O17  1  0.683  0.683  0.317  1.0
  O  O18  1  0.185  0.185  0.315  1.0
  O  O19  1  0.685  0.685  0.815  1.0
  O  O20  1  0.694  0.156  0.844  1.0
  O  O21  1  0.156  0.694  0.306  1.0
  O  O22  1  0.306  0.844  0.156  1.0
  O  O23  1  0.844  0.306  0.694  1.0
  O  O24  1  0.500  0.500  0.500  1.0
[/CIF]
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