The material structure described by Sr3Tl5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one Tl(1), four equivalent Tl(2), and four equivalent Tl(3) atoms. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to two equivalent Tl(1), four equivalent Tl(2), and four equivalent Tl(3) atoms. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 7-coordinate geometry to one Sr(1), four equivalent Sr(2), and two equivalent Tl(2) atoms. In the second Tl site, Tl(2) is bonded in a 9-coordinate geometry to two equivalent Sr(1), four equivalent Sr(2), one Tl(1), and two equivalent Tl(3) atoms. In the third Tl site, Tl(3) is bonded in a 9-coordinate geometry to two equivalent Sr(1), four equivalent Sr(2), one Tl(3), and two equivalent Tl(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3Tl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.889
_cell_length_b   6.889
_cell_length_c   11.586
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   102.840
_symmetry_Int_Tables_number   1
_cell_volume   536.094
_cell_formula_units_Z   2
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  0.609  0.609  0.750  1.0
  Sr  Sr1  1  0.391  0.391  0.250  1.0
  Sr  Sr2  1  0.793  0.207  0.000  1.0
  Sr  Sr3  1  0.793  0.207  0.500  1.0
  Sr  Sr4  1  0.207  0.793  0.000  1.0
  Sr  Sr5  1  0.207  0.793  0.500  1.0
  Tl  Tl6  1  0.014  0.014  0.250  1.0
  Tl  Tl7  1  0.986  0.986  0.750  1.0
  Tl  Tl8  1  0.917  0.521  0.250  1.0
  Tl  Tl9  1  0.479  0.083  0.750  1.0
  Tl  Tl10  1  0.083  0.479  0.750  1.0
  Tl  Tl11  1  0.521  0.917  0.250  1.0
  Tl  Tl12  1  0.693  0.693  0.042  1.0
  Tl  Tl13  1  0.307  0.307  0.958  1.0
  Tl  Tl14  1  0.693  0.693  0.458  1.0
  Tl  Tl15  1  0.307  0.307  0.542  1.0
[/CIF]
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The material structure described by Sr3Tl5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one Tl(1), four equivalent Tl(2), and four equivalent Tl(3) atoms. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to two equivalent Tl(1), four equivalent Tl(2), and four equivalent Tl(3) atoms. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 7-coordinate geometry to one Sr(1), four equivalent Sr(2), and two equivalent Tl(2) atoms. In the second Tl site, Tl(2) is bonded in a 9-coordinate geometry to two equivalent Sr(1), four equivalent Sr(2), one Tl(1), and two equivalent Tl(3) atoms. In the third Tl site, Tl(3) is bonded in a 9-coordinate geometry to two equivalent Sr(1), four equivalent Sr(2), one Tl(3), and two equivalent Tl(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3Tl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.889
_cell_length_b   6.889
_cell_length_c   11.586
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   102.840
_symmetry_Int_Tables_number   1
_cell_volume   536.094
_cell_formula_units_Z   2
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  0.609  0.609  0.750  1.0
  Sr  Sr1  1  0.391  0.391  0.250  1.0
  Sr  Sr2  1  0.793  0.207  0.000  1.0
  Sr  Sr3  1  0.793  0.207  0.500  1.0
  Sr  Sr4  1  0.207  0.793  0.000  1.0
  Sr  Sr5  1  0.207  0.793  0.500  1.0
  Tl  Tl6  1  0.014  0.014  0.250  1.0
  Tl  Tl7  1  0.986  0.986  0.750  1.0
  Tl  Tl8  1  0.917  0.521  0.250  1.0
  Tl  Tl9  1  0.479  0.083  0.750  1.0
  Tl  Tl10  1  0.083  0.479  0.750  1.0
  Tl  Tl11  1  0.521  0.917  0.250  1.0
  Tl  Tl12  1  0.693  0.693  0.042  1.0
  Tl  Tl13  1  0.307  0.307  0.958  1.0
  Tl  Tl14  1  0.693  0.693  0.458  1.0
  Tl  Tl15  1  0.307  0.307  0.542  1.0
[/CIF]
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