The structure described by LiBa2LaCu3O7 crystallizes in the orthorhombic Pmm2 space group. Li(1) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one O(2), and two equivalent O(7) atoms. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent Li(1), two equivalent O(5), two equivalent O(6), and four equivalent O(7) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. La(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one O(7), two equivalent O(1), and two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(4) atoms. In the third Cu site, Cu(3) is bonded in a rectangular see-saw-like geometry to two equivalent O(5) and two equivalent O(6) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to two equivalent La(1) and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded to one Li(1), two equivalent La(1), and two equivalent Cu(1) atoms to form distorted OLiLa2Cu2 trigonal bipyramids that share corners with two equivalent O(4)Ba2La2Cu2 octahedra, corners with four equivalent O(3)Ba2La2Cu2 octahedra, corners with four equivalent O(2)LiLa2Cu2 trigonal bipyramids, and  an edgeedge with one O(4)Ba2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 5-67°. In the third O site, O(3) is bonded to two equivalent Ba(2), two equivalent La(1), and two equivalent Cu(2) atoms to form OBa2La2Cu2 octahedra that share corners with two equivalent O(3)Ba2La2Cu2 octahedra, corners with two equivalent O(6)Ba4Cu2 octahedra, corners with four equivalent O(5)Ba4Cu2 octahedra, corners with four equivalent O(2)LiLa2Cu2 trigonal bipyramids,  an edgeedge with one O(6)Ba4Cu2 octahedra, edges with two equivalent O(3)Ba2La2Cu2 octahedra, and faces with four equivalent O(4)Ba2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-61°. In the fourth O site, O(4) 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(4)Ba2La2Cu2 octahedra, corners with two equivalent O(5)Ba4Cu2 octahedra, corners with four equivalent O(6)Ba4Cu2 octahedra, corners with two equivalent O(2)LiLa2Cu2 trigonal bipyramids,  an edgeedge with one O(5)Ba4Cu2 octahedra, edges with two equivalent O(4)Ba2La2Cu2 octahedra,  an edgeedge with one O(2)LiLa2Cu2 trigonal bipyramid, and faces with four equivalent O(3)Ba2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 3-60°. In the fifth O site, O(5) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Cu(3) atoms to form distorted OBa4Cu2 octahedra that share corners with two equivalent O(4)Ba2La2Cu2 octahedra, corners with two equivalent O(5)Ba4Cu2 octahedra, corners with four equivalent O(3)Ba2La2Cu2 octahedra,  an edgeedge with one O(4)Ba2La2Cu2 octahedra, edges with two equivalent O(5)Ba4Cu2 octahedra, and faces with four equivalent O(6)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 3-61°. In the sixth O site, O(6) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Cu(3) atoms to form OBa4Cu2 octahedra that share corners with two equivalent O(3)Ba2La2Cu2 octahedra, corners with two equivalent O(6)Ba4Cu2 octahedra, corners with four equivalent O(4)Ba2La2Cu2 octahedra,  an edgeedge with one O(3)Ba2La2Cu2 octahedra, edges with two equivalent O(6)Ba4Cu2 octahedra, and faces with four equivalent O(5)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-60°. In the seventh O site, O(7) is bonded in a 7-coordinate geometry to two equivalent Li(1), four equivalent Ba(1), and one Cu(1) atom. is represented by the CIF file [CIF]
data_Ba2LiLaCu3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.046
_cell_length_b   3.892
_cell_length_c   12.885
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   202.891
_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  0.500  0.500  0.897  1.0
  Ba  Ba1  1  0.500  0.500  0.193  1.0
  Li  Li2  1  0.000  0.500  0.742  1.0
  La  La3  1  0.500  0.500  0.487  1.0
  Cu  Cu4  1  0.000  0.000  0.623  1.0
  Cu  Cu5  1  0.000  0.000  0.351  1.0
  Cu  Cu6  1  0.000  0.000  0.042  1.0
  O  O7  1  0.500  0.000  0.594  1.0
  O  O8  1  0.000  0.500  0.598  1.0
  O  O9  1  0.500  0.000  0.350  1.0
  O  O10  1  0.000  0.500  0.355  1.0
  O  O11  1  0.000  0.500  0.046  1.0
  O  O12  1  0.500  0.000  0.045  1.0
  O  O13  1  0.000  0.000  0.805  1.0
[/CIF]
.
The structure described by LiBa2LaCu3O7 crystallizes in the orthorhombic Pmm2 space group. Li(1) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one O(2), and two equivalent O(7) atoms. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent Li(1), two equivalent O(5), two equivalent O(6), and four equivalent O(7) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. La(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one O(7), two equivalent O(1), and two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(4) atoms. In the third Cu site, Cu(3) is bonded in a rectangular see-saw-like geometry to two equivalent O(5) and two equivalent O(6) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to two equivalent La(1) and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded to one Li(1), two equivalent La(1), and two equivalent Cu(1) atoms to form distorted OLiLa2Cu2 trigonal bipyramids that share corners with two equivalent O(4)Ba2La2Cu2 octahedra, corners with four equivalent O(3)Ba2La2Cu2 octahedra, corners with four equivalent O(2)LiLa2Cu2 trigonal bipyramids, and  an edgeedge with one O(4)Ba2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 5-67°. In the third O site, O(3) is bonded to two equivalent Ba(2), two equivalent La(1), and two equivalent Cu(2) atoms to form OBa2La2Cu2 octahedra that share corners with two equivalent O(3)Ba2La2Cu2 octahedra, corners with two equivalent O(6)Ba4Cu2 octahedra, corners with four equivalent O(5)Ba4Cu2 octahedra, corners with four equivalent O(2)LiLa2Cu2 trigonal bipyramids,  an edgeedge with one O(6)Ba4Cu2 octahedra, edges with two equivalent O(3)Ba2La2Cu2 octahedra, and faces with four equivalent O(4)Ba2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-61°. In the fourth O site, O(4) 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(4)Ba2La2Cu2 octahedra, corners with two equivalent O(5)Ba4Cu2 octahedra, corners with four equivalent O(6)Ba4Cu2 octahedra, corners with two equivalent O(2)LiLa2Cu2 trigonal bipyramids,  an edgeedge with one O(5)Ba4Cu2 octahedra, edges with two equivalent O(4)Ba2La2Cu2 octahedra,  an edgeedge with one O(2)LiLa2Cu2 trigonal bipyramid, and faces with four equivalent O(3)Ba2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 3-60°. In the fifth O site, O(5) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Cu(3) atoms to form distorted OBa4Cu2 octahedra that share corners with two equivalent O(4)Ba2La2Cu2 octahedra, corners with two equivalent O(5)Ba4Cu2 octahedra, corners with four equivalent O(3)Ba2La2Cu2 octahedra,  an edgeedge with one O(4)Ba2La2Cu2 octahedra, edges with two equivalent O(5)Ba4Cu2 octahedra, and faces with four equivalent O(6)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 3-61°. In the sixth O site, O(6) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Cu(3) atoms to form OBa4Cu2 octahedra that share corners with two equivalent O(3)Ba2La2Cu2 octahedra, corners with two equivalent O(6)Ba4Cu2 octahedra, corners with four equivalent O(4)Ba2La2Cu2 octahedra,  an edgeedge with one O(3)Ba2La2Cu2 octahedra, edges with two equivalent O(6)Ba4Cu2 octahedra, and faces with four equivalent O(5)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-60°. In the seventh O site, O(7) is bonded in a 7-coordinate geometry to two equivalent Li(1), four equivalent Ba(1), and one Cu(1) atom. is represented by the CIF file [CIF]
data_Ba2LiLaCu3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.046
_cell_length_b   3.892
_cell_length_c   12.885
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   202.891
_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  0.500  0.500  0.897  1.0
  Ba  Ba1  1  0.500  0.500  0.193  1.0
  Li  Li2  1  0.000  0.500  0.742  1.0
  La  La3  1  0.500  0.500  0.487  1.0
  Cu  Cu4  1  0.000  0.000  0.623  1.0
  Cu  Cu5  1  0.000  0.000  0.351  1.0
  Cu  Cu6  1  0.000  0.000  0.042  1.0
  O  O7  1  0.500  0.000  0.594  1.0
  O  O8  1  0.000  0.500  0.598  1.0
  O  O9  1  0.500  0.000  0.350  1.0
  O  O10  1  0.000  0.500  0.355  1.0
  O  O11  1  0.000  0.500  0.046  1.0
  O  O12  1  0.500  0.000  0.045  1.0
  O  O13  1  0.000  0.000  0.805  1.0
[/CIF]
.