The crystal structure described by TlSr2Br5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to two equivalent Br(2), two equivalent Br(3), two equivalent Br(4), and two equivalent Br(5) atoms. In the second Sr site, Sr(2) is bonded to one Br(2), one Br(3), one Br(4), two equivalent Br(1), and two equivalent Br(5) atoms to form distorted edge-sharing SrBr7 pentagonal bipyramids. Tl(1) is bonded in a 1-coordinate geometry to two equivalent Br(1) atoms. There are five inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to two equivalent Sr(2) and two equivalent Tl(1) atoms. In the second Br site, Br(2) is bonded in a distorted T-shaped geometry to one Sr(2) and two equivalent Sr(1) atoms. In the third Br site, Br(3) is bonded in a 3-coordinate geometry to one Sr(2) and two equivalent Sr(1) atoms. In the fourth Br site, Br(4) is bonded in a distorted trigonal non-coplanar geometry to one Sr(2) and two equivalent Sr(1) atoms. In the fifth Br site, Br(5) is bonded to two equivalent Sr(1) and two equivalent Sr(2) atoms to form a mixture of distorted corner and edge-sharing BrSr4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2TlBr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.352
_cell_length_b   9.361
_cell_length_c   13.400
_cell_angle_alpha   90.110
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1047.622
_cell_formula_units_Z   4
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  0.475  0.999  0.822  1.0
  Sr  Sr1  1  0.525  0.001  0.178  1.0
  Sr  Sr2  1  0.975  0.001  0.678  1.0
  Sr  Sr3  1  0.025  0.999  0.322  1.0
  Sr  Sr4  1  0.429  0.750  0.506  1.0
  Sr  Sr5  1  0.571  0.250  0.494  1.0
  Sr  Sr6  1  0.929  0.250  0.994  1.0
  Sr  Sr7  1  0.071  0.750  0.006  1.0
  Tl  Tl8  1  0.468  0.494  0.829  1.0
  Tl  Tl9  1  0.532  0.506  0.171  1.0
  Tl  Tl10  1  0.968  0.506  0.671  1.0
  Tl  Tl11  1  0.032  0.494  0.329  1.0
  Br  Br12  1  0.335  0.464  0.593  1.0
  Br  Br13  1  0.665  0.536  0.407  1.0
  Br  Br14  1  0.835  0.536  0.907  1.0
  Br  Br15  1  0.165  0.464  0.093  1.0
  Br  Br16  1  0.668  0.780  0.683  1.0
  Br  Br17  1  0.332  0.220  0.317  1.0
  Br  Br18  1  0.168  0.220  0.817  1.0
  Br  Br19  1  0.832  0.780  0.183  1.0
  Br  Br20  1  0.192  0.770  0.783  1.0
  Br  Br21  1  0.808  0.230  0.217  1.0
  Br  Br22  1  0.692  0.230  0.717  1.0
  Br  Br23  1  0.308  0.770  0.283  1.0
  Br  Br24  1  0.045  0.781  0.502  1.0
  Br  Br25  1  0.955  0.219  0.498  1.0
  Br  Br26  1  0.545  0.219  0.998  1.0
  Br  Br27  1  0.455  0.781  0.002  1.0
  Br  Br28  1  0.838  0.959  0.901  1.0
  Br  Br29  1  0.162  0.041  0.099  1.0
  Br  Br30  1  0.338  0.041  0.599  1.0
  Br  Br31  1  0.662  0.959  0.401  1.0
[/CIF]
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The crystal structure described by TlSr2Br5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to two equivalent Br(2), two equivalent Br(3), two equivalent Br(4), and two equivalent Br(5) atoms. In the second Sr site, Sr(2) is bonded to one Br(2), one Br(3), one Br(4), two equivalent Br(1), and two equivalent Br(5) atoms to form distorted edge-sharing SrBr7 pentagonal bipyramids. Tl(1) is bonded in a 1-coordinate geometry to two equivalent Br(1) atoms. There are five inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to two equivalent Sr(2) and two equivalent Tl(1) atoms. In the second Br site, Br(2) is bonded in a distorted T-shaped geometry to one Sr(2) and two equivalent Sr(1) atoms. In the third Br site, Br(3) is bonded in a 3-coordinate geometry to one Sr(2) and two equivalent Sr(1) atoms. In the fourth Br site, Br(4) is bonded in a distorted trigonal non-coplanar geometry to one Sr(2) and two equivalent Sr(1) atoms. In the fifth Br site, Br(5) is bonded to two equivalent Sr(1) and two equivalent Sr(2) atoms to form a mixture of distorted corner and edge-sharing BrSr4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2TlBr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.352
_cell_length_b   9.361
_cell_length_c   13.400
_cell_angle_alpha   90.110
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1047.622
_cell_formula_units_Z   4
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  0.475  0.999  0.822  1.0
  Sr  Sr1  1  0.525  0.001  0.178  1.0
  Sr  Sr2  1  0.975  0.001  0.678  1.0
  Sr  Sr3  1  0.025  0.999  0.322  1.0
  Sr  Sr4  1  0.429  0.750  0.506  1.0
  Sr  Sr5  1  0.571  0.250  0.494  1.0
  Sr  Sr6  1  0.929  0.250  0.994  1.0
  Sr  Sr7  1  0.071  0.750  0.006  1.0
  Tl  Tl8  1  0.468  0.494  0.829  1.0
  Tl  Tl9  1  0.532  0.506  0.171  1.0
  Tl  Tl10  1  0.968  0.506  0.671  1.0
  Tl  Tl11  1  0.032  0.494  0.329  1.0
  Br  Br12  1  0.335  0.464  0.593  1.0
  Br  Br13  1  0.665  0.536  0.407  1.0
  Br  Br14  1  0.835  0.536  0.907  1.0
  Br  Br15  1  0.165  0.464  0.093  1.0
  Br  Br16  1  0.668  0.780  0.683  1.0
  Br  Br17  1  0.332  0.220  0.317  1.0
  Br  Br18  1  0.168  0.220  0.817  1.0
  Br  Br19  1  0.832  0.780  0.183  1.0
  Br  Br20  1  0.192  0.770  0.783  1.0
  Br  Br21  1  0.808  0.230  0.217  1.0
  Br  Br22  1  0.692  0.230  0.717  1.0
  Br  Br23  1  0.308  0.770  0.283  1.0
  Br  Br24  1  0.045  0.781  0.502  1.0
  Br  Br25  1  0.955  0.219  0.498  1.0
  Br  Br26  1  0.545  0.219  0.998  1.0
  Br  Br27  1  0.455  0.781  0.002  1.0
  Br  Br28  1  0.838  0.959  0.901  1.0
  Br  Br29  1  0.162  0.041  0.099  1.0
  Br  Br30  1  0.338  0.041  0.599  1.0
  Br  Br31  1  0.662  0.959  0.401  1.0
[/CIF]
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