The structure described by LiBaSrNdCu2TlO7 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 3-coordinate geometry to one O(3), one O(4), and one O(6) atom. Ba(1) is bonded in a 9-coordinate geometry to one O(7), two equivalent O(1), two equivalent O(2), and four equivalent O(5) atoms. Sr(1) is bonded in a 3-coordinate geometry to one O(7) and four equivalent O(6) atoms. Nd(1) is bonded in a distorted 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 two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(5), 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. Tl(1) is bonded in a see-saw-like geometry to one O(5), one O(6), and two equivalent O(7) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Nd(1), and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent Nd(1), and two equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing OBa2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles are 6°. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), two equivalent Nd(1), and two equivalent Cu(2) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), two equivalent Nd(1), and two equivalent Cu(2) atoms. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one Cu(1), and one Tl(1) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Li(1), four equivalent Sr(1), and one Tl(1) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Ba(1), one Sr(1), and two equivalent Tl(1) atoms. is represented by the CIF card [CIF]
data_BaSrLiNdTlCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.941
_cell_length_b   3.975
_cell_length_c   13.397
_cell_angle_alpha   83.041
_cell_angle_beta   96.288
_cell_angle_gamma   90.629
_symmetry_Int_Tables_number   1
_cell_volume   207.100
_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  0.524  0.482  0.787  1.0
  Sr  Sr1  1  0.653  0.381  0.170  1.0
  Li  Li2  1  0.240  0.773  0.303  1.0
  Nd  Nd3  1  0.428  0.590  0.512  1.0
  Tl  Tl4  1  0.095  0.974  0.990  1.0
  Cu  Cu5  1  0.968  0.044  0.629  1.0
  Cu  Cu6  1  0.871  0.154  0.392  1.0
  O  O7  1  0.465  0.051  0.618  1.0
  O  O8  1  0.965  0.547  0.622  1.0
  O  O9  1  0.366  0.160  0.380  1.0
  O  O10  1  0.869  0.656  0.387  1.0
  O  O11  1  0.040  0.949  0.829  1.0
  O  O12  1  0.165  0.793  0.160  1.0
  O  O13  1  0.601  0.294  0.997  1.0
[/CIF]
.
The structure described by LiBaSrNdCu2TlO7 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 3-coordinate geometry to one O(3), one O(4), and one O(6) atom. Ba(1) is bonded in a 9-coordinate geometry to one O(7), two equivalent O(1), two equivalent O(2), and four equivalent O(5) atoms. Sr(1) is bonded in a 3-coordinate geometry to one O(7) and four equivalent O(6) atoms. Nd(1) is bonded in a distorted 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 two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(5), 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. Tl(1) is bonded in a see-saw-like geometry to one O(5), one O(6), and two equivalent O(7) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Nd(1), and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent Nd(1), and two equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing OBa2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles are 6°. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), two equivalent Nd(1), and two equivalent Cu(2) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), two equivalent Nd(1), and two equivalent Cu(2) atoms. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one Cu(1), and one Tl(1) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Li(1), four equivalent Sr(1), and one Tl(1) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Ba(1), one Sr(1), and two equivalent Tl(1) atoms. is represented by the CIF card [CIF]
data_BaSrLiNdTlCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.941
_cell_length_b   3.975
_cell_length_c   13.397
_cell_angle_alpha   83.041
_cell_angle_beta   96.288
_cell_angle_gamma   90.629
_symmetry_Int_Tables_number   1
_cell_volume   207.100
_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  0.524  0.482  0.787  1.0
  Sr  Sr1  1  0.653  0.381  0.170  1.0
  Li  Li2  1  0.240  0.773  0.303  1.0
  Nd  Nd3  1  0.428  0.590  0.512  1.0
  Tl  Tl4  1  0.095  0.974  0.990  1.0
  Cu  Cu5  1  0.968  0.044  0.629  1.0
  Cu  Cu6  1  0.871  0.154  0.392  1.0
  O  O7  1  0.465  0.051  0.618  1.0
  O  O8  1  0.965  0.547  0.622  1.0
  O  O9  1  0.366  0.160  0.380  1.0
  O  O10  1  0.869  0.656  0.387  1.0
  O  O11  1  0.040  0.949  0.829  1.0
  O  O12  1  0.165  0.793  0.160  1.0
  O  O13  1  0.601  0.294  0.997  1.0
[/CIF]
.