The compound described by Sr2YTlSn2O7 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to one O(3) and four equivalent O(2) atoms to form distorted SrO5 square pyramids that share corners with four equivalent Sn(1)O5 square pyramids, corners with five equivalent Sr(1)O5 square pyramids, and edges with four equivalent Sr(1)O5 square pyramids. Y(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Tl(1) is bonded in a linear geometry to two equivalent O(2) atoms. Sn(1) is bonded to one O(2) and four equivalent O(1) atoms to form SnO5 square pyramids that share corners with four equivalent Sr(1)O5 square pyramids and corners with four equivalent Sn(1)O5 square pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Y(1) and two equivalent Sn(1) atoms. In the second O site, O(2) is bonded to four equivalent Sr(1), one Tl(1), and one Sn(1) atom to form a mixture of distorted edge and corner-sharing OSr4TlSn octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the third O site, O(3) is bonded in a linear geometry to two equivalent Sr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2YTlSn2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.195
_cell_length_b   4.195
_cell_length_c   12.803
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   225.337
_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  0.000  0.000  0.820  1.0
  Sr  Sr1  1  0.000  0.000  0.180  1.0
  Y  Y2  1  0.000  0.000  0.500  1.0
  Tl  Tl3  1  0.500  0.500  0.000  1.0
  Sn  Sn4  1  0.500  0.500  0.635  1.0
  Sn  Sn5  1  0.500  0.500  0.365  1.0
  O  O6  1  0.000  0.500  0.611  1.0
  O  O7  1  0.500  0.000  0.611  1.0
  O  O8  1  0.000  0.500  0.389  1.0
  O  O9  1  0.500  0.000  0.389  1.0
  O  O10  1  0.500  0.500  0.794  1.0
  O  O11  1  0.500  0.500  0.206  1.0
  O  O12  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Sr2YTlSn2O7 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to one O(3) and four equivalent O(2) atoms to form distorted SrO5 square pyramids that share corners with four equivalent Sn(1)O5 square pyramids, corners with five equivalent Sr(1)O5 square pyramids, and edges with four equivalent Sr(1)O5 square pyramids. Y(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Tl(1) is bonded in a linear geometry to two equivalent O(2) atoms. Sn(1) is bonded to one O(2) and four equivalent O(1) atoms to form SnO5 square pyramids that share corners with four equivalent Sr(1)O5 square pyramids and corners with four equivalent Sn(1)O5 square pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Y(1) and two equivalent Sn(1) atoms. In the second O site, O(2) is bonded to four equivalent Sr(1), one Tl(1), and one Sn(1) atom to form a mixture of distorted edge and corner-sharing OSr4TlSn octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the third O site, O(3) is bonded in a linear geometry to two equivalent Sr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2YTlSn2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.195
_cell_length_b   4.195
_cell_length_c   12.803
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   225.337
_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  0.000  0.000  0.820  1.0
  Sr  Sr1  1  0.000  0.000  0.180  1.0
  Y  Y2  1  0.000  0.000  0.500  1.0
  Tl  Tl3  1  0.500  0.500  0.000  1.0
  Sn  Sn4  1  0.500  0.500  0.635  1.0
  Sn  Sn5  1  0.500  0.500  0.365  1.0
  O  O6  1  0.000  0.500  0.611  1.0
  O  O7  1  0.500  0.000  0.611  1.0
  O  O8  1  0.000  0.500  0.389  1.0
  O  O9  1  0.500  0.000  0.389  1.0
  O  O10  1  0.500  0.500  0.794  1.0
  O  O11  1  0.500  0.500  0.206  1.0
  O  O12  1  0.000  0.000  0.000  1.0
[/CIF]
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