The compound described by Sr6Cu3Tl3O16 crystallizes in the monoclinic C2/m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(1), one O(3), one O(6), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to one O(1), one O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(6), two equivalent O(1), and four equivalent O(4) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form corner-sharing CuO6 octahedra. The corner-sharing octahedra are not tilted. In the second Cu site, Cu(2) is bonded to one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form CuO6 octahedra that share  a cornercorner with one Tl(2)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, and corners with two equivalent Cu(2)O6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted T-shaped geometry to one O(1), one O(2), and three equivalent O(6) atoms. In the second Tl site, Tl(2) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms to form TlO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra. The corner-sharing octahedra are not tilted. There are seven inequivalent O sites. In the first O site, O(6) is bonded to one Sr(1), one Sr(3), one Tl(2), and three equivalent Tl(1) atoms to form distorted OSr2Tl4 octahedra that share corners with two equivalent O(5)Sr4Cu2 octahedra, corners with three equivalent O(6)Sr2Tl4 octahedra, corners with six equivalent O(4)Sr4Cu2 octahedra, and edges with two equivalent O(6)Sr2Tl4 octahedra. The corner-sharing octahedral tilt angles range from 0-48°. In the second O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Sr(2), one Tl(2), and one O(7) atom. In the third O site, O(1) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), two equivalent Sr(3), one Cu(1), and one Tl(1) atom. In the fourth O site, O(2) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), one Cu(2), and one Tl(1) atom. In the fifth O site, O(3) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(3), two equivalent Sr(2), one Cu(2), and one Tl(2) atom. In the sixth O site, O(4) is bonded to one Sr(1), one Sr(2), two equivalent Sr(3), one Cu(1), and one Cu(2) atom to form distorted OSr4Cu2 octahedra that share  a cornercorner with one O(4)Sr4Cu2 octahedra,  a cornercorner with one O(5)Sr4Cu2 octahedra, corners with three equivalent O(6)Sr2Tl4 octahedra,  an edgeedge with one O(4)Sr4Cu2 octahedra,  an edgeedge with one O(5)Sr4Cu2 octahedra,  a faceface with one O(5)Sr4Cu2 octahedra, and faces with three equivalent O(4)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-48°. In the seventh O site, O(5) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Cu(2) atoms to form distorted OSr4Cu2 octahedra that share corners with two equivalent O(6)Sr2Tl4 octahedra, corners with two equivalent O(4)Sr4Cu2 octahedra, edges with two equivalent O(4)Sr4Cu2 octahedra, faces with two equivalent O(4)Sr4Cu2 octahedra, and faces with two equivalent O(5)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-45°. is represented by the CIF card [CIF]
data_Sr6Tl3Cu3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.395
_cell_length_b   8.395
_cell_length_c   10.358
_cell_angle_alpha   61.401
_cell_angle_beta   61.401
_cell_angle_gamma   39.384
_symmetry_Int_Tables_number   1
_cell_volume   398.879
_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  0.262  0.262  0.709  1.0
  Sr  Sr1  1  0.598  0.598  0.704  1.0
  Sr  Sr2  1  0.932  0.932  0.708  1.0
  Sr  Sr3  1  0.402  0.402  0.296  1.0
  Sr  Sr4  1  0.738  0.738  0.291  1.0
  Sr  Sr5  1  0.068  0.068  0.292  1.0
  Tl  Tl6  1  0.682  0.682  0.000  1.0
  Tl  Tl7  1  0.000  0.000  0.000  1.0
  Tl  Tl8  1  0.318  0.318  1.000  1.0
  Cu  Cu9  1  0.500  0.500  0.500  1.0
  Cu  Cu10  1  0.833  0.833  0.501  1.0
  Cu  Cu11  1  0.167  0.167  0.499  1.0
  O  O12  1  0.412  0.412  0.767  1.0
  O  O13  1  0.743  0.743  0.767  1.0
  O  O14  1  0.078  0.078  0.765  1.0
  O  O15  1  0.588  0.588  0.233  1.0
  O  O16  1  0.922  0.922  0.235  1.0
  O  O17  1  0.257  0.257  0.233  1.0
  O  O18  1  0.167  0.665  0.501  1.0
  O  O19  1  0.500  0.000  0.500  1.0
  O  O20  1  0.833  0.335  0.499  1.0
  O  O21  1  0.665  0.167  0.501  1.0
  O  O22  1  0.000  0.500  0.500  1.0
  O  O23  1  0.335  0.833  0.499  1.0
  O  O24  1  0.169  0.169  0.000  1.0
  O  O25  1  0.831  0.831  1.000  1.0
  O  O26  1  0.620  0.380  0.000  1.0
  O  O27  1  0.380  0.620  0.000  1.0
[/CIF]
.
The compound described by Sr6Cu3Tl3O16 crystallizes in the monoclinic C2/m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(1), one O(3), one O(6), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to one O(1), one O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(6), two equivalent O(1), and four equivalent O(4) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form corner-sharing CuO6 octahedra. The corner-sharing octahedra are not tilted. In the second Cu site, Cu(2) is bonded to one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form CuO6 octahedra that share  a cornercorner with one Tl(2)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, and corners with two equivalent Cu(2)O6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted T-shaped geometry to one O(1), one O(2), and three equivalent O(6) atoms. In the second Tl site, Tl(2) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms to form TlO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra. The corner-sharing octahedra are not tilted. There are seven inequivalent O sites. In the first O site, O(6) is bonded to one Sr(1), one Sr(3), one Tl(2), and three equivalent Tl(1) atoms to form distorted OSr2Tl4 octahedra that share corners with two equivalent O(5)Sr4Cu2 octahedra, corners with three equivalent O(6)Sr2Tl4 octahedra, corners with six equivalent O(4)Sr4Cu2 octahedra, and edges with two equivalent O(6)Sr2Tl4 octahedra. The corner-sharing octahedral tilt angles range from 0-48°. In the second O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Sr(2), one Tl(2), and one O(7) atom. In the third O site, O(1) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), two equivalent Sr(3), one Cu(1), and one Tl(1) atom. In the fourth O site, O(2) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), one Cu(2), and one Tl(1) atom. In the fifth O site, O(3) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(3), two equivalent Sr(2), one Cu(2), and one Tl(2) atom. In the sixth O site, O(4) is bonded to one Sr(1), one Sr(2), two equivalent Sr(3), one Cu(1), and one Cu(2) atom to form distorted OSr4Cu2 octahedra that share  a cornercorner with one O(4)Sr4Cu2 octahedra,  a cornercorner with one O(5)Sr4Cu2 octahedra, corners with three equivalent O(6)Sr2Tl4 octahedra,  an edgeedge with one O(4)Sr4Cu2 octahedra,  an edgeedge with one O(5)Sr4Cu2 octahedra,  a faceface with one O(5)Sr4Cu2 octahedra, and faces with three equivalent O(4)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-48°. In the seventh O site, O(5) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Cu(2) atoms to form distorted OSr4Cu2 octahedra that share corners with two equivalent O(6)Sr2Tl4 octahedra, corners with two equivalent O(4)Sr4Cu2 octahedra, edges with two equivalent O(4)Sr4Cu2 octahedra, faces with two equivalent O(4)Sr4Cu2 octahedra, and faces with two equivalent O(5)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-45°. is represented by the CIF card [CIF]
data_Sr6Tl3Cu3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.395
_cell_length_b   8.395
_cell_length_c   10.358
_cell_angle_alpha   61.401
_cell_angle_beta   61.401
_cell_angle_gamma   39.384
_symmetry_Int_Tables_number   1
_cell_volume   398.879
_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  0.262  0.262  0.709  1.0
  Sr  Sr1  1  0.598  0.598  0.704  1.0
  Sr  Sr2  1  0.932  0.932  0.708  1.0
  Sr  Sr3  1  0.402  0.402  0.296  1.0
  Sr  Sr4  1  0.738  0.738  0.291  1.0
  Sr  Sr5  1  0.068  0.068  0.292  1.0
  Tl  Tl6  1  0.682  0.682  0.000  1.0
  Tl  Tl7  1  0.000  0.000  0.000  1.0
  Tl  Tl8  1  0.318  0.318  1.000  1.0
  Cu  Cu9  1  0.500  0.500  0.500  1.0
  Cu  Cu10  1  0.833  0.833  0.501  1.0
  Cu  Cu11  1  0.167  0.167  0.499  1.0
  O  O12  1  0.412  0.412  0.767  1.0
  O  O13  1  0.743  0.743  0.767  1.0
  O  O14  1  0.078  0.078  0.765  1.0
  O  O15  1  0.588  0.588  0.233  1.0
  O  O16  1  0.922  0.922  0.235  1.0
  O  O17  1  0.257  0.257  0.233  1.0
  O  O18  1  0.167  0.665  0.501  1.0
  O  O19  1  0.500  0.000  0.500  1.0
  O  O20  1  0.833  0.335  0.499  1.0
  O  O21  1  0.665  0.167  0.501  1.0
  O  O22  1  0.000  0.500  0.500  1.0
  O  O23  1  0.335  0.833  0.499  1.0
  O  O24  1  0.169  0.169  0.000  1.0
  O  O25  1  0.831  0.831  1.000  1.0
  O  O26  1  0.620  0.380  0.000  1.0
  O  O27  1  0.380  0.620  0.000  1.0
[/CIF]
.