The material structure described by LiBaSrNdCu2TlO7 crystallizes in the monoclinic Pm space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(6) and two equivalent O(7) atoms. 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 7-coordinate geometry to one O(7), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. Nd(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 two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to 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 distorted 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 to two equivalent Ba(1), two equivalent Nd(1), and two equivalent Cu(1) atoms to form distorted OBa2Nd2Cu2 octahedra that share corners with two equivalent O(1)Ba2Nd2Cu2 octahedra, corners with two equivalent O(3)Sr2Nd2Cu2 octahedra, corners with four equivalent O(4)Sr2Nd2Cu2 octahedra,  an edgeedge with one O(3)Sr2Nd2Cu2 octahedra, edges with two equivalent O(1)Ba2Nd2Cu2 octahedra, and faces with four equivalent O(2)Ba2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 4-68°. 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 distorted OBa2Nd2Cu2 octahedra that share corners with two equivalent O(2)Ba2Nd2Cu2 octahedra, corners with two equivalent O(4)Sr2Nd2Cu2 octahedra, corners with four equivalent O(3)Sr2Nd2Cu2 octahedra,  an edgeedge with one O(4)Sr2Nd2Cu2 octahedra, edges with two equivalent O(2)Ba2Nd2Cu2 octahedra, and faces with four equivalent O(1)Ba2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-67°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Cu(2) atoms to form distorted OSr2Nd2Cu2 octahedra that share corners with two equivalent O(1)Ba2Nd2Cu2 octahedra, corners with two equivalent O(3)Sr2Nd2Cu2 octahedra, corners with four equivalent O(2)Ba2Nd2Cu2 octahedra,  an edgeedge with one O(1)Ba2Nd2Cu2 octahedra, edges with two equivalent O(3)Sr2Nd2Cu2 octahedra, and faces with four equivalent O(4)Sr2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-67°. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Cu(2) atoms to form OSr2Nd2Cu2 octahedra that share corners with two equivalent O(2)Ba2Nd2Cu2 octahedra, corners with two equivalent O(4)Sr2Nd2Cu2 octahedra, corners with four equivalent O(1)Ba2Nd2Cu2 octahedra,  an edgeedge with one O(2)Ba2Nd2Cu2 octahedra, edges with two equivalent O(4)Sr2Nd2Cu2 octahedra, and faces with four equivalent O(3)Sr2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one Tl(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Sr(1), and one Tl(1) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to two equivalent Li(1), one Ba(1), one Sr(1), and two equivalent Tl(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSrLiNdTlCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.930
_cell_length_b   4.021
_cell_length_c   13.082
_cell_angle_alpha   94.429
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   206.123
_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  0.564  0.779  1.0
  Sr  Sr1  1  0.500  0.414  0.244  1.0
  Li  Li2  1  0.500  0.881  0.089  1.0
  Nd  Nd3  1  0.500  0.495  0.503  1.0
  Tl  Tl4  1  0.000  0.200  0.994  1.0
  Cu  Cu5  1  0.000  0.025  0.619  1.0
  Cu  Cu6  1  0.000  0.960  0.377  1.0
  O  O7  1  0.500  0.023  0.614  1.0
  O  O8  1  0.000  0.524  0.617  1.0
  O  O9  1  0.500  0.958  0.374  1.0
  O  O10  1  0.000  0.460  0.378  1.0
  O  O11  1  0.000  0.066  0.831  1.0
  O  O12  1  0.000  0.986  0.149  1.0
  O  O13  1  0.500  0.442  0.034  1.0
[/CIF]
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The material structure described by LiBaSrNdCu2TlO7 crystallizes in the monoclinic Pm space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(6) and two equivalent O(7) atoms. 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 7-coordinate geometry to one O(7), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. Nd(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 two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to 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 distorted 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 to two equivalent Ba(1), two equivalent Nd(1), and two equivalent Cu(1) atoms to form distorted OBa2Nd2Cu2 octahedra that share corners with two equivalent O(1)Ba2Nd2Cu2 octahedra, corners with two equivalent O(3)Sr2Nd2Cu2 octahedra, corners with four equivalent O(4)Sr2Nd2Cu2 octahedra,  an edgeedge with one O(3)Sr2Nd2Cu2 octahedra, edges with two equivalent O(1)Ba2Nd2Cu2 octahedra, and faces with four equivalent O(2)Ba2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 4-68°. 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 distorted OBa2Nd2Cu2 octahedra that share corners with two equivalent O(2)Ba2Nd2Cu2 octahedra, corners with two equivalent O(4)Sr2Nd2Cu2 octahedra, corners with four equivalent O(3)Sr2Nd2Cu2 octahedra,  an edgeedge with one O(4)Sr2Nd2Cu2 octahedra, edges with two equivalent O(2)Ba2Nd2Cu2 octahedra, and faces with four equivalent O(1)Ba2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-67°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Cu(2) atoms to form distorted OSr2Nd2Cu2 octahedra that share corners with two equivalent O(1)Ba2Nd2Cu2 octahedra, corners with two equivalent O(3)Sr2Nd2Cu2 octahedra, corners with four equivalent O(2)Ba2Nd2Cu2 octahedra,  an edgeedge with one O(1)Ba2Nd2Cu2 octahedra, edges with two equivalent O(3)Sr2Nd2Cu2 octahedra, and faces with four equivalent O(4)Sr2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-67°. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Cu(2) atoms to form OSr2Nd2Cu2 octahedra that share corners with two equivalent O(2)Ba2Nd2Cu2 octahedra, corners with two equivalent O(4)Sr2Nd2Cu2 octahedra, corners with four equivalent O(1)Ba2Nd2Cu2 octahedra,  an edgeedge with one O(2)Ba2Nd2Cu2 octahedra, edges with two equivalent O(4)Sr2Nd2Cu2 octahedra, and faces with four equivalent O(3)Sr2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one Tl(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Sr(1), and one Tl(1) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to two equivalent Li(1), one Ba(1), one Sr(1), and two equivalent Tl(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSrLiNdTlCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.930
_cell_length_b   4.021
_cell_length_c   13.082
_cell_angle_alpha   94.429
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   206.123
_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  0.564  0.779  1.0
  Sr  Sr1  1  0.500  0.414  0.244  1.0
  Li  Li2  1  0.500  0.881  0.089  1.0
  Nd  Nd3  1  0.500  0.495  0.503  1.0
  Tl  Tl4  1  0.000  0.200  0.994  1.0
  Cu  Cu5  1  0.000  0.025  0.619  1.0
  Cu  Cu6  1  0.000  0.960  0.377  1.0
  O  O7  1  0.500  0.023  0.614  1.0
  O  O8  1  0.000  0.524  0.617  1.0
  O  O9  1  0.500  0.958  0.374  1.0
  O  O10  1  0.000  0.460  0.378  1.0
  O  O11  1  0.000  0.066  0.831  1.0
  O  O12  1  0.000  0.986  0.149  1.0
  O  O13  1  0.500  0.442  0.034  1.0
[/CIF]
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