The compound described by TlSrLaCuO5 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal P4mm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(4), four equivalent O(1), and four equivalent O(3) atoms. La(1) is bonded in a 9-coordinate geometry to one O(4), four equivalent O(2), and four equivalent O(3) atoms. Cu(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with two equivalent Tl(1)O6 octahedra and corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. Tl(1) is bonded to one O(1), one O(2), and four equivalent O(4) atoms to form TlO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with four equivalent Tl(1)O6 octahedra, and edges with four equivalent Tl(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Cu(1), and one Tl(1) atom to form distorted OSr4TlCu octahedra that share corners with four equivalent O(1)Sr4TlCu octahedra, corners with eight equivalent O(3)Sr2La2Cu2 octahedra, edges with four equivalent O(1)Sr4TlCu octahedra, edges with four equivalent O(4)SrLaTl4 octahedra, and faces with four equivalent O(3)Sr2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 20-53°. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent La(1), one Cu(1), and one Tl(1) atom. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent La(1), and two equivalent Cu(1) atoms to form distorted OSr2La2Cu2 octahedra that share corners with two equivalent O(3)Sr2La2Cu2 octahedra, corners with four equivalent O(1)Sr4TlCu octahedra, corners with four equivalent O(4)SrLaTl4 octahedra, edges with two equivalent O(3)Sr2La2Cu2 octahedra, faces with two equivalent O(1)Sr4TlCu octahedra, and faces with four equivalent O(3)Sr2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 10-53°. In the fourth O site, O(4) is bonded to one Sr(1), one La(1), and four equivalent Tl(1) atoms to form OSrLaTl4 octahedra that share corners with four equivalent O(4)SrLaTl4 octahedra, corners with eight equivalent O(3)Sr2La2Cu2 octahedra, edges with four equivalent O(1)Sr4TlCu octahedra, and edges with four equivalent O(4)SrLaTl4 octahedra. The corner-sharing octahedral tilt angles range from 7-49°. is represented by the CIF card [CIF]
data_SrLaTlCuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.808
_cell_length_b   3.808
_cell_length_c   8.940
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   129.662
_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
  Sr  Sr0  1  0.500  0.500  0.784  1.0
  La  La1  1  0.500  0.500  0.197  1.0
  Tl  Tl2  1  0.000  0.000  0.497  1.0
  Cu  Cu3  1  0.000  0.000  0.991  1.0
  O  O4  1  0.000  0.000  0.730  1.0
  O  O5  1  0.000  0.000  0.262  1.0
  O  O6  1  0.000  0.500  0.010  1.0
  O  O7  1  0.500  0.000  0.010  1.0
  O  O8  1  0.500  0.500  0.478  1.0
[/CIF]
.
The compound described by TlSrLaCuO5 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal P4mm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(4), four equivalent O(1), and four equivalent O(3) atoms. La(1) is bonded in a 9-coordinate geometry to one O(4), four equivalent O(2), and four equivalent O(3) atoms. Cu(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with two equivalent Tl(1)O6 octahedra and corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. Tl(1) is bonded to one O(1), one O(2), and four equivalent O(4) atoms to form TlO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with four equivalent Tl(1)O6 octahedra, and edges with four equivalent Tl(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Cu(1), and one Tl(1) atom to form distorted OSr4TlCu octahedra that share corners with four equivalent O(1)Sr4TlCu octahedra, corners with eight equivalent O(3)Sr2La2Cu2 octahedra, edges with four equivalent O(1)Sr4TlCu octahedra, edges with four equivalent O(4)SrLaTl4 octahedra, and faces with four equivalent O(3)Sr2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 20-53°. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent La(1), one Cu(1), and one Tl(1) atom. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent La(1), and two equivalent Cu(1) atoms to form distorted OSr2La2Cu2 octahedra that share corners with two equivalent O(3)Sr2La2Cu2 octahedra, corners with four equivalent O(1)Sr4TlCu octahedra, corners with four equivalent O(4)SrLaTl4 octahedra, edges with two equivalent O(3)Sr2La2Cu2 octahedra, faces with two equivalent O(1)Sr4TlCu octahedra, and faces with four equivalent O(3)Sr2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 10-53°. In the fourth O site, O(4) is bonded to one Sr(1), one La(1), and four equivalent Tl(1) atoms to form OSrLaTl4 octahedra that share corners with four equivalent O(4)SrLaTl4 octahedra, corners with eight equivalent O(3)Sr2La2Cu2 octahedra, edges with four equivalent O(1)Sr4TlCu octahedra, and edges with four equivalent O(4)SrLaTl4 octahedra. The corner-sharing octahedral tilt angles range from 7-49°. is represented by the CIF card [CIF]
data_SrLaTlCuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.808
_cell_length_b   3.808
_cell_length_c   8.940
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   129.662
_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
  Sr  Sr0  1  0.500  0.500  0.784  1.0
  La  La1  1  0.500  0.500  0.197  1.0
  Tl  Tl2  1  0.000  0.000  0.497  1.0
  Cu  Cu3  1  0.000  0.000  0.991  1.0
  O  O4  1  0.000  0.000  0.730  1.0
  O  O5  1  0.000  0.000  0.262  1.0
  O  O6  1  0.000  0.500  0.010  1.0
  O  O7  1  0.500  0.000  0.010  1.0
  O  O8  1  0.500  0.500  0.478  1.0
[/CIF]
.