The crystal structure described by Sr6YTl3(Cu2O7)3 crystallizes in the orthorhombic Pmmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(7), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(8), two equivalent O(2), two equivalent O(4), and four equivalent O(6) atoms. Y(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four 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 two equivalent O(1) and two equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded in a distorted square co-planar geometry to one O(3), one O(4), and two equivalent O(2) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to two equivalent O(5) and four equivalent O(7) atoms to form a mixture of corner and edge-sharing TlO6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the second Tl site, Tl(2) is bonded to two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms to form a mixture of corner and edge-sharing TlO6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are eight inequivalent O sites. In the first O site, O(7) is bonded to two equivalent Sr(1), two equivalent Tl(1), and two equivalent Tl(2) atoms to form a mixture of corner and edge-sharing OSr2Tl4 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(8) is bonded to two equivalent Sr(2) and four equivalent Tl(2) atoms to form a mixture of corner and edge-sharing OSr2Tl4 octahedra. The corner-sharing octahedral tilt angles are 2°. In the third O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Cu(1) atoms. In the fourth O site, O(2) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Y(1), and two equivalent Cu(2) atoms. In the fifth O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr(1), one Cu(1), and one Cu(2) atom. In the sixth O site, O(4) is bonded in a distorted see-saw-like geometry to two equivalent Sr(2), two equivalent Y(1), and two equivalent Cu(2) atoms. In the seventh O site, O(5) is bonded in a 5-coordinate geometry to four equivalent Sr(1) and one Tl(1) atom. In the eighth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and one Tl(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr6YTl3(Cu2O7)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.678
_cell_length_b   11.032
_cell_length_c   12.741
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   517.035
_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  0.166  0.793  1.0
  Sr  Sr1  1  0.500  0.500  0.794  1.0
  Sr  Sr2  1  0.500  0.834  0.793  1.0
  Sr  Sr3  1  0.500  0.166  0.207  1.0
  Sr  Sr4  1  0.500  0.500  0.206  1.0
  Sr  Sr5  1  0.500  0.834  0.207  1.0
  Y  Y6  1  0.500  0.500  0.500  1.0
  Tl  Tl7  1  0.000  0.000  0.000  1.0
  Tl  Tl8  1  0.000  0.332  0.000  1.0
  Tl  Tl9  1  0.000  0.668  0.000  1.0
  Cu  Cu10  1  0.000  0.000  0.611  1.0
  Cu  Cu11  1  0.000  0.320  0.622  1.0
  Cu  Cu12  1  0.000  0.680  0.622  1.0
  Cu  Cu13  1  0.000  0.000  0.389  1.0
  Cu  Cu14  1  0.000  0.320  0.378  1.0
  Cu  Cu15  1  0.000  0.680  0.378  1.0
  O  O16  1  0.500  0.000  0.638  1.0
  O  O17  1  0.500  0.345  0.629  1.0
  O  O18  1  0.500  0.655  0.629  1.0
  O  O19  1  0.000  0.160  0.653  1.0
  O  O20  1  0.000  0.500  0.612  1.0
  O  O21  1  0.000  0.840  0.653  1.0
  O  O22  1  0.500  0.000  0.362  1.0
  O  O23  1  0.500  0.345  0.371  1.0
  O  O24  1  0.500  0.655  0.371  1.0
  O  O25  1  0.000  0.160  0.347  1.0
  O  O26  1  0.000  0.500  0.388  1.0
  O  O27  1  0.000  0.840  0.347  1.0
  O  O28  1  0.000  0.000  0.839  1.0
  O  O29  1  0.000  0.336  0.834  1.0
  O  O30  1  0.000  0.664  0.834  1.0
  O  O31  1  0.000  0.000  0.161  1.0
  O  O32  1  0.000  0.336  0.166  1.0
  O  O33  1  0.000  0.664  0.166  1.0
  O  O34  1  0.500  0.173  0.000  1.0
  O  O35  1  0.500  0.500  0.000  1.0
  O  O36  1  0.500  0.827  0.000  1.0
[/CIF]
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The crystal structure described by Sr6YTl3(Cu2O7)3 crystallizes in the orthorhombic Pmmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(7), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(8), two equivalent O(2), two equivalent O(4), and four equivalent O(6) atoms. Y(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four 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 two equivalent O(1) and two equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded in a distorted square co-planar geometry to one O(3), one O(4), and two equivalent O(2) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to two equivalent O(5) and four equivalent O(7) atoms to form a mixture of corner and edge-sharing TlO6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the second Tl site, Tl(2) is bonded to two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms to form a mixture of corner and edge-sharing TlO6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are eight inequivalent O sites. In the first O site, O(7) is bonded to two equivalent Sr(1), two equivalent Tl(1), and two equivalent Tl(2) atoms to form a mixture of corner and edge-sharing OSr2Tl4 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(8) is bonded to two equivalent Sr(2) and four equivalent Tl(2) atoms to form a mixture of corner and edge-sharing OSr2Tl4 octahedra. The corner-sharing octahedral tilt angles are 2°. In the third O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Cu(1) atoms. In the fourth O site, O(2) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Y(1), and two equivalent Cu(2) atoms. In the fifth O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr(1), one Cu(1), and one Cu(2) atom. In the sixth O site, O(4) is bonded in a distorted see-saw-like geometry to two equivalent Sr(2), two equivalent Y(1), and two equivalent Cu(2) atoms. In the seventh O site, O(5) is bonded in a 5-coordinate geometry to four equivalent Sr(1) and one Tl(1) atom. In the eighth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and one Tl(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr6YTl3(Cu2O7)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.678
_cell_length_b   11.032
_cell_length_c   12.741
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   517.035
_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  0.166  0.793  1.0
  Sr  Sr1  1  0.500  0.500  0.794  1.0
  Sr  Sr2  1  0.500  0.834  0.793  1.0
  Sr  Sr3  1  0.500  0.166  0.207  1.0
  Sr  Sr4  1  0.500  0.500  0.206  1.0
  Sr  Sr5  1  0.500  0.834  0.207  1.0
  Y  Y6  1  0.500  0.500  0.500  1.0
  Tl  Tl7  1  0.000  0.000  0.000  1.0
  Tl  Tl8  1  0.000  0.332  0.000  1.0
  Tl  Tl9  1  0.000  0.668  0.000  1.0
  Cu  Cu10  1  0.000  0.000  0.611  1.0
  Cu  Cu11  1  0.000  0.320  0.622  1.0
  Cu  Cu12  1  0.000  0.680  0.622  1.0
  Cu  Cu13  1  0.000  0.000  0.389  1.0
  Cu  Cu14  1  0.000  0.320  0.378  1.0
  Cu  Cu15  1  0.000  0.680  0.378  1.0
  O  O16  1  0.500  0.000  0.638  1.0
  O  O17  1  0.500  0.345  0.629  1.0
  O  O18  1  0.500  0.655  0.629  1.0
  O  O19  1  0.000  0.160  0.653  1.0
  O  O20  1  0.000  0.500  0.612  1.0
  O  O21  1  0.000  0.840  0.653  1.0
  O  O22  1  0.500  0.000  0.362  1.0
  O  O23  1  0.500  0.345  0.371  1.0
  O  O24  1  0.500  0.655  0.371  1.0
  O  O25  1  0.000  0.160  0.347  1.0
  O  O26  1  0.000  0.500  0.388  1.0
  O  O27  1  0.000  0.840  0.347  1.0
  O  O28  1  0.000  0.000  0.839  1.0
  O  O29  1  0.000  0.336  0.834  1.0
  O  O30  1  0.000  0.664  0.834  1.0
  O  O31  1  0.000  0.000  0.161  1.0
  O  O32  1  0.000  0.336  0.166  1.0
  O  O33  1  0.000  0.664  0.166  1.0
  O  O34  1  0.500  0.173  0.000  1.0
  O  O35  1  0.500  0.500  0.000  1.0
  O  O36  1  0.500  0.827  0.000  1.0
[/CIF]
.