The material described by TlTl2B3Se10 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two 7440-28-0 atoms and two Tl2B3Se10 clusters. In each Tl2B3Se10 cluster, there are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a single-bond geometry to one Se(8) atom. In the second Tl site, Tl(2) is bonded in a 2-coordinate geometry to one Se(2) and one Se(5) atom. There are three inequivalent B sites. In the first B site, B(1) is bonded to one Se(1), one Se(2), one Se(3), and one Se(4) atom to form corner-sharing BSe4 tetrahedra. In the second B site, B(2) is bonded to one Se(4), one Se(5), one Se(6), and one Se(7) atom to form corner-sharing BSe4 tetrahedra. In the third B site, B(3) is bonded to one Se(10), one Se(7), one Se(8), and one Se(9) atom to form corner-sharing BSe4 tetrahedra. There are ten inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted single-bond geometry to one B(1) atom. In the second Se site, Se(2) is bonded in a distorted single-bond geometry to one Tl(2) and one B(1) atom. In the third Se site, Se(3) is bonded in a distorted single-bond geometry to one B(1) atom. In the fourth Se site, Se(4) is bonded in a water-like geometry to one B(1) and one B(2) atom. In the fifth Se site, Se(5) is bonded in a distorted single-bond geometry to one Tl(2) and one B(2) atom. In the sixth Se site, Se(6) is bonded in a distorted single-bond geometry to one B(2) atom. In the seventh Se site, Se(7) is bonded in a water-like geometry to one B(2) and one B(3) atom. In the eighth Se site, Se(8) is bonded in a distorted single-bond geometry to one Tl(1) and one B(3) atom. In the ninth Se site, Se(9) is bonded in a distorted single-bond geometry to one B(3) atom. In the tenth Se site, Se(10) is bonded in a distorted single-bond geometry to one B(3) atom. is represented by the CIF card [CIF]
data_Tl3B3Se10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.311
_cell_length_b   8.319
_cell_length_c   14.862
_cell_angle_alpha   103.964
_cell_angle_beta   94.703
_cell_angle_gamma   93.475
_symmetry_Int_Tables_number   1
_cell_volume   871.295
_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
  Tl  Tl0  1  0.325  0.183  0.479  1.0
  Tl  Tl1  1  0.675  0.817  0.521  1.0
  Tl  Tl2  1  0.734  0.551  0.154  1.0
  Tl  Tl3  1  0.266  0.449  0.846  1.0
  Tl  Tl4  1  0.986  0.121  0.205  1.0
  Tl  Tl5  1  0.014  0.879  0.795  1.0
  B  B6  1  0.363  0.914  0.090  1.0
  B  B7  1  0.637  0.086  0.910  1.0
  B  B8  1  0.261  0.713  0.239  1.0
  B  B9  1  0.739  0.287  0.761  1.0
  B  B10  1  0.106  0.621  0.415  1.0
  B  B11  1  0.894  0.379  0.585  1.0
  Se  Se12  1  0.224  0.059  0.016  1.0
  Se  Se13  1  0.776  0.941  0.984  1.0
  Se  Se14  1  0.531  0.757  0.014  1.0
  Se  Se15  1  0.469  0.243  0.986  1.0
  Se  Se16  1  0.478  0.063  0.215  1.0
  Se  Se17  1  0.522  0.937  0.785  1.0
  Se  Se18  1  0.164  0.740  0.110  1.0
  Se  Se19  1  0.836  0.260  0.890  1.0
  Se  Se20  1  0.520  0.837  0.285  1.0
  Se  Se21  1  0.480  0.163  0.715  1.0
  Se  Se22  1  0.299  0.465  0.225  1.0
  Se  Se23  1  0.701  0.535  0.775  1.0
  Se  Se24  1  0.070  0.790  0.335  1.0
  Se  Se25  1  0.930  0.210  0.665  1.0
  Se  Se26  1  0.341  0.501  0.390  1.0
  Se  Se27  1  0.659  0.499  0.610  1.0
  Se  Se28  1  0.141  0.749  0.553  1.0
  Se  Se29  1  0.859  0.251  0.447  1.0
  Se  Se30  1  0.860  0.481  0.372  1.0
  Se  Se31  1  0.140  0.519  0.628  1.0
[/CIF]
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The material described by TlTl2B3Se10 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two 7440-28-0 atoms and two Tl2B3Se10 clusters. In each Tl2B3Se10 cluster, there are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a single-bond geometry to one Se(8) atom. In the second Tl site, Tl(2) is bonded in a 2-coordinate geometry to one Se(2) and one Se(5) atom. There are three inequivalent B sites. In the first B site, B(1) is bonded to one Se(1), one Se(2), one Se(3), and one Se(4) atom to form corner-sharing BSe4 tetrahedra. In the second B site, B(2) is bonded to one Se(4), one Se(5), one Se(6), and one Se(7) atom to form corner-sharing BSe4 tetrahedra. In the third B site, B(3) is bonded to one Se(10), one Se(7), one Se(8), and one Se(9) atom to form corner-sharing BSe4 tetrahedra. There are ten inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted single-bond geometry to one B(1) atom. In the second Se site, Se(2) is bonded in a distorted single-bond geometry to one Tl(2) and one B(1) atom. In the third Se site, Se(3) is bonded in a distorted single-bond geometry to one B(1) atom. In the fourth Se site, Se(4) is bonded in a water-like geometry to one B(1) and one B(2) atom. In the fifth Se site, Se(5) is bonded in a distorted single-bond geometry to one Tl(2) and one B(2) atom. In the sixth Se site, Se(6) is bonded in a distorted single-bond geometry to one B(2) atom. In the seventh Se site, Se(7) is bonded in a water-like geometry to one B(2) and one B(3) atom. In the eighth Se site, Se(8) is bonded in a distorted single-bond geometry to one Tl(1) and one B(3) atom. In the ninth Se site, Se(9) is bonded in a distorted single-bond geometry to one B(3) atom. In the tenth Se site, Se(10) is bonded in a distorted single-bond geometry to one B(3) atom. is represented by the CIF card [CIF]
data_Tl3B3Se10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.311
_cell_length_b   8.319
_cell_length_c   14.862
_cell_angle_alpha   103.964
_cell_angle_beta   94.703
_cell_angle_gamma   93.475
_symmetry_Int_Tables_number   1
_cell_volume   871.295
_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
  Tl  Tl0  1  0.325  0.183  0.479  1.0
  Tl  Tl1  1  0.675  0.817  0.521  1.0
  Tl  Tl2  1  0.734  0.551  0.154  1.0
  Tl  Tl3  1  0.266  0.449  0.846  1.0
  Tl  Tl4  1  0.986  0.121  0.205  1.0
  Tl  Tl5  1  0.014  0.879  0.795  1.0
  B  B6  1  0.363  0.914  0.090  1.0
  B  B7  1  0.637  0.086  0.910  1.0
  B  B8  1  0.261  0.713  0.239  1.0
  B  B9  1  0.739  0.287  0.761  1.0
  B  B10  1  0.106  0.621  0.415  1.0
  B  B11  1  0.894  0.379  0.585  1.0
  Se  Se12  1  0.224  0.059  0.016  1.0
  Se  Se13  1  0.776  0.941  0.984  1.0
  Se  Se14  1  0.531  0.757  0.014  1.0
  Se  Se15  1  0.469  0.243  0.986  1.0
  Se  Se16  1  0.478  0.063  0.215  1.0
  Se  Se17  1  0.522  0.937  0.785  1.0
  Se  Se18  1  0.164  0.740  0.110  1.0
  Se  Se19  1  0.836  0.260  0.890  1.0
  Se  Se20  1  0.520  0.837  0.285  1.0
  Se  Se21  1  0.480  0.163  0.715  1.0
  Se  Se22  1  0.299  0.465  0.225  1.0
  Se  Se23  1  0.701  0.535  0.775  1.0
  Se  Se24  1  0.070  0.790  0.335  1.0
  Se  Se25  1  0.930  0.210  0.665  1.0
  Se  Se26  1  0.341  0.501  0.390  1.0
  Se  Se27  1  0.659  0.499  0.610  1.0
  Se  Se28  1  0.141  0.749  0.553  1.0
  Se  Se29  1  0.859  0.251  0.447  1.0
  Se  Se30  1  0.860  0.481  0.372  1.0
  Se  Se31  1  0.140  0.519  0.628  1.0
[/CIF]
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