The material structure described by Sr4Cu2TlBiO10 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4/mmm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Cu(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form distorted CuO6 octahedra that share  a cornercorner with one Tl(1)O6 octahedra,  a cornercorner with one Bi(1)O6 octahedra, and corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedra are not tilted. Tl(1) is bonded to two equivalent O(3) 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 Bi(1)O6 octahedra. The corner-sharing octahedra are not tilted. Bi(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form BiO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with four equivalent Bi(1)O6 octahedra, and edges with four equivalent Tl(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1) and two equivalent Cu(1) atoms to form distorted OSr4Cu2 octahedra that share corners with two equivalent O(1)Sr4Cu2 octahedra, corners with four equivalent O(4)Sr2Tl2Bi2 octahedra, corners with four equivalent O(2)Sr4CuBi octahedra, edges with two equivalent O(1)Sr4Cu2 octahedra, faces with two equivalent O(2)Sr4CuBi octahedra, and faces with four equivalent O(1)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 3-51°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Cu(1), and one Bi(1) atom to form distorted OSr4CuBi octahedra that share corners with five equivalent O(2)Sr4CuBi octahedra, corners with eight equivalent O(1)Sr4Cu2 octahedra, edges with four equivalent O(4)Sr2Tl2Bi2 octahedra, and faces with four equivalent O(1)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. In the third O site, O(3) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Cu(1), and one Tl(1) atom. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Tl(1), and two equivalent Bi(1) atoms to form OSr2Tl2Bi2 octahedra that share corners with four equivalent O(4)Sr2Tl2Bi2 octahedra, corners with eight equivalent O(1)Sr4Cu2 octahedra, edges with four equivalent O(4)Sr2Tl2Bi2 octahedra, and edges with four equivalent O(2)Sr4CuBi octahedra. The corner-sharing octahedral tilt angles range from 0-45°. is represented by the CIF card [CIF]
data_Sr4TlCu2BiO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.869
_cell_length_b   9.869
_cell_length_c   9.869
_cell_angle_alpha   148.915
_cell_angle_beta   148.915
_cell_angle_gamma   44.537
_symmetry_Int_Tables_number   1
_cell_volume   255.449
_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  0.352  0.852  0.500  1.0
  Sr  Sr1  1  0.852  0.352  0.500  1.0
  Sr  Sr2  1  0.148  0.648  0.500  1.0
  Sr  Sr3  1  0.648  0.148  0.500  1.0
  Tl  Tl4  1  0.500  0.500  0.000  1.0
  Cu  Cu5  1  0.753  0.753  0.000  1.0
  Cu  Cu6  1  0.247  0.247  0.000  1.0
  Bi  Bi7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.000  0.000  0.500  1.0
  O  O9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.000  0.500  0.000  1.0
  O  O11  1  0.500  0.000  0.000  1.0
  O  O12  1  0.880  0.880  0.000  1.0
  O  O13  1  0.386  0.386  0.000  1.0
  O  O14  1  0.614  0.614  0.000  1.0
  O  O15  1  0.120  0.120  0.000  1.0
  O  O16  1  0.000  0.500  0.500  1.0
  O  O17  1  0.500  0.000  0.500  1.0
[/CIF]
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The material structure described by Sr4Cu2TlBiO10 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4/mmm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Cu(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form distorted CuO6 octahedra that share  a cornercorner with one Tl(1)O6 octahedra,  a cornercorner with one Bi(1)O6 octahedra, and corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedra are not tilted. Tl(1) is bonded to two equivalent O(3) 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 Bi(1)O6 octahedra. The corner-sharing octahedra are not tilted. Bi(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form BiO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with four equivalent Bi(1)O6 octahedra, and edges with four equivalent Tl(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1) and two equivalent Cu(1) atoms to form distorted OSr4Cu2 octahedra that share corners with two equivalent O(1)Sr4Cu2 octahedra, corners with four equivalent O(4)Sr2Tl2Bi2 octahedra, corners with four equivalent O(2)Sr4CuBi octahedra, edges with two equivalent O(1)Sr4Cu2 octahedra, faces with two equivalent O(2)Sr4CuBi octahedra, and faces with four equivalent O(1)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 3-51°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Cu(1), and one Bi(1) atom to form distorted OSr4CuBi octahedra that share corners with five equivalent O(2)Sr4CuBi octahedra, corners with eight equivalent O(1)Sr4Cu2 octahedra, edges with four equivalent O(4)Sr2Tl2Bi2 octahedra, and faces with four equivalent O(1)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. In the third O site, O(3) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Cu(1), and one Tl(1) atom. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Tl(1), and two equivalent Bi(1) atoms to form OSr2Tl2Bi2 octahedra that share corners with four equivalent O(4)Sr2Tl2Bi2 octahedra, corners with eight equivalent O(1)Sr4Cu2 octahedra, edges with four equivalent O(4)Sr2Tl2Bi2 octahedra, and edges with four equivalent O(2)Sr4CuBi octahedra. The corner-sharing octahedral tilt angles range from 0-45°. is represented by the CIF card [CIF]
data_Sr4TlCu2BiO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.869
_cell_length_b   9.869
_cell_length_c   9.869
_cell_angle_alpha   148.915
_cell_angle_beta   148.915
_cell_angle_gamma   44.537
_symmetry_Int_Tables_number   1
_cell_volume   255.449
_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  0.352  0.852  0.500  1.0
  Sr  Sr1  1  0.852  0.352  0.500  1.0
  Sr  Sr2  1  0.148  0.648  0.500  1.0
  Sr  Sr3  1  0.648  0.148  0.500  1.0
  Tl  Tl4  1  0.500  0.500  0.000  1.0
  Cu  Cu5  1  0.753  0.753  0.000  1.0
  Cu  Cu6  1  0.247  0.247  0.000  1.0
  Bi  Bi7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.000  0.000  0.500  1.0
  O  O9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.000  0.500  0.000  1.0
  O  O11  1  0.500  0.000  0.000  1.0
  O  O12  1  0.880  0.880  0.000  1.0
  O  O13  1  0.386  0.386  0.000  1.0
  O  O14  1  0.614  0.614  0.000  1.0
  O  O15  1  0.120  0.120  0.000  1.0
  O  O16  1  0.000  0.500  0.500  1.0
  O  O17  1  0.500  0.000  0.500  1.0
[/CIF]
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