The crystal structure described by TlGeBr3 is (Cubic) Perovskite structured and crystallizes in the monoclinic Cm space group. The structure consists of two 7440-28-0 atoms inside a GeBr3 framework. In the GeBr3 framework, Ge(1) is bonded to two equivalent Br(2) and four equivalent Br(1) atoms to form corner-sharing GeBr6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a linear geometry to two equivalent Ge(1) atoms. In the second Br site, Br(2) is bonded in a linear geometry to two equivalent Ge(1) atoms. is represented by the CIF card [CIF]
data_TlGeBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.560
_cell_length_b   5.560
_cell_length_c   5.551
_cell_angle_alpha   89.109
_cell_angle_beta   89.109
_cell_angle_gamma   89.296
_symmetry_Int_Tables_number   1
_cell_volume   171.588
_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
  Tl  Tl0  1  0.005  0.005  0.995  1.0
  Ge  Ge1  1  0.517  0.517  0.531  1.0
  Br  Br2  1  0.989  0.498  0.516  1.0
  Br  Br3  1  0.490  0.490  0.005  1.0
  Br  Br4  1  0.498  0.989  0.516  1.0
[/CIF]
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The crystal structure described by TlGeBr3 is (Cubic) Perovskite structured and crystallizes in the monoclinic Cm space group. The structure consists of two 7440-28-0 atoms inside a GeBr3 framework. In the GeBr3 framework, Ge(1) is bonded to two equivalent Br(2) and four equivalent Br(1) atoms to form corner-sharing GeBr6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a linear geometry to two equivalent Ge(1) atoms. In the second Br site, Br(2) is bonded in a linear geometry to two equivalent Ge(1) atoms. is represented by the CIF card [CIF]
data_TlGeBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.560
_cell_length_b   5.560
_cell_length_c   5.551
_cell_angle_alpha   89.109
_cell_angle_beta   89.109
_cell_angle_gamma   89.296
_symmetry_Int_Tables_number   1
_cell_volume   171.588
_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
  Tl  Tl0  1  0.005  0.005  0.995  1.0
  Ge  Ge1  1  0.517  0.517  0.531  1.0
  Br  Br2  1  0.989  0.498  0.516  1.0
  Br  Br3  1  0.490  0.490  0.005  1.0
  Br  Br4  1  0.498  0.989  0.516  1.0
[/CIF]
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