The structure described by LiBa2LaCu3O7 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a 5-coordinate geometry to one O(4) and four equivalent O(3) atoms. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one Cu(3), four equivalent O(1), and four equivalent O(4) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(3) atoms. La(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(4) and four equivalent O(1) atoms to form corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to four equivalent O(2) atoms. In the third Cu site, Cu(3) is bonded in a rectangular see-saw-like geometry to one Ba(1) and four equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent La(1), and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded to two equivalent Ba(2), two equivalent La(1), and two equivalent Cu(2) atoms to form distorted OBa2La2Cu2 octahedra that share corners with two equivalent O(2)Ba2La2Cu2 octahedra, corners with six equivalent O(3)Ba2Li2Cu2 octahedra,  an edgeedge with one O(3)Ba2Li2Cu2 octahedra, edges with two equivalent O(2)Ba2La2Cu2 octahedra, and faces with four equivalent O(2)Ba2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-61°. In the third O site, O(3) is bonded to two equivalent Li(1), two equivalent Ba(2), and two equivalent Cu(3) atoms to form distorted OBa2Li2Cu2 octahedra that share corners with two equivalent O(3)Ba2Li2Cu2 octahedra, corners with two equivalent O(4)Ba4LiCu octahedra, corners with six equivalent O(2)Ba2La2Cu2 octahedra,  an edgeedge with one O(2)Ba2La2Cu2 octahedra, edges with two equivalent O(3)Ba2Li2Cu2 octahedra, and faces with four equivalent O(3)Ba2Li2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-61°. In the fourth O site, O(4) is bonded to one Li(1), four equivalent Ba(1), and one Cu(1) atom to form distorted OBa4LiCu octahedra that share corners with four equivalent O(3)Ba2Li2Cu2 octahedra, corners with four equivalent O(4)Ba4LiCu octahedra, and edges with four equivalent O(4)Ba4LiCu octahedra. The corner-sharing octahedral tilt angles range from 12-61°. is represented by the CIF file [CIF]
data_Ba2LiLaCu3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.958
_cell_length_b   3.958
_cell_length_c   12.892
_cell_angle_alpha   97.594
_cell_angle_beta   97.590
_cell_angle_gamma   89.839
_symmetry_Int_Tables_number   1
_cell_volume   198.415
_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  0.651  0.651  0.781  1.0
  Ba  Ba1  1  0.414  0.414  0.191  1.0
  Li  Li2  1  0.260  0.260  0.956  1.0
  La  La3  1  0.532  0.532  0.488  1.0
  Cu  Cu4  1  0.092  0.091  0.635  1.0
  Cu  Cu5  1  0.977  0.978  0.353  1.0
  Cu  Cu6  1  0.844  0.843  0.038  1.0
  O  O7  1  0.579  0.080  0.606  1.0
  O  O8  1  0.080  0.579  0.606  1.0
  O  O9  1  0.479  0.979  0.355  1.0
  O  O10  1  0.979  0.479  0.355  1.0
  O  O11  1  0.848  0.345  0.041  1.0
  O  O12  1  0.346  0.848  0.041  1.0
  O  O13  1  0.170  0.170  0.804  1.0
[/CIF]
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The structure described by LiBa2LaCu3O7 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a 5-coordinate geometry to one O(4) and four equivalent O(3) atoms. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one Cu(3), four equivalent O(1), and four equivalent O(4) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(3) atoms. La(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(4) and four equivalent O(1) atoms to form corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to four equivalent O(2) atoms. In the third Cu site, Cu(3) is bonded in a rectangular see-saw-like geometry to one Ba(1) and four equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent La(1), and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded to two equivalent Ba(2), two equivalent La(1), and two equivalent Cu(2) atoms to form distorted OBa2La2Cu2 octahedra that share corners with two equivalent O(2)Ba2La2Cu2 octahedra, corners with six equivalent O(3)Ba2Li2Cu2 octahedra,  an edgeedge with one O(3)Ba2Li2Cu2 octahedra, edges with two equivalent O(2)Ba2La2Cu2 octahedra, and faces with four equivalent O(2)Ba2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-61°. In the third O site, O(3) is bonded to two equivalent Li(1), two equivalent Ba(2), and two equivalent Cu(3) atoms to form distorted OBa2Li2Cu2 octahedra that share corners with two equivalent O(3)Ba2Li2Cu2 octahedra, corners with two equivalent O(4)Ba4LiCu octahedra, corners with six equivalent O(2)Ba2La2Cu2 octahedra,  an edgeedge with one O(2)Ba2La2Cu2 octahedra, edges with two equivalent O(3)Ba2Li2Cu2 octahedra, and faces with four equivalent O(3)Ba2Li2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-61°. In the fourth O site, O(4) is bonded to one Li(1), four equivalent Ba(1), and one Cu(1) atom to form distorted OBa4LiCu octahedra that share corners with four equivalent O(3)Ba2Li2Cu2 octahedra, corners with four equivalent O(4)Ba4LiCu octahedra, and edges with four equivalent O(4)Ba4LiCu octahedra. The corner-sharing octahedral tilt angles range from 12-61°. is represented by the CIF file [CIF]
data_Ba2LiLaCu3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.958
_cell_length_b   3.958
_cell_length_c   12.892
_cell_angle_alpha   97.594
_cell_angle_beta   97.590
_cell_angle_gamma   89.839
_symmetry_Int_Tables_number   1
_cell_volume   198.415
_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  0.651  0.651  0.781  1.0
  Ba  Ba1  1  0.414  0.414  0.191  1.0
  Li  Li2  1  0.260  0.260  0.956  1.0
  La  La3  1  0.532  0.532  0.488  1.0
  Cu  Cu4  1  0.092  0.091  0.635  1.0
  Cu  Cu5  1  0.977  0.978  0.353  1.0
  Cu  Cu6  1  0.844  0.843  0.038  1.0
  O  O7  1  0.579  0.080  0.606  1.0
  O  O8  1  0.080  0.579  0.606  1.0
  O  O9  1  0.479  0.979  0.355  1.0
  O  O10  1  0.979  0.479  0.355  1.0
  O  O11  1  0.848  0.345  0.041  1.0
  O  O12  1  0.346  0.848  0.041  1.0
  O  O13  1  0.170  0.170  0.804  1.0
[/CIF]
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