The material described by Rb2HgTlBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Rb(1) is bonded to twelve equivalent Br(1) atoms to form RbBr12 cuboctahedra that share corners with twelve equivalent Rb(1)Br12 cuboctahedra, faces with six equivalent Rb(1)Br12 cuboctahedra, faces with four equivalent Hg(1)Br6 octahedra, and faces with four equivalent Tl(1)Br6 octahedra. Hg(1) is bonded to six equivalent Br(1) atoms to form HgBr6 octahedra that share corners with six equivalent Tl(1)Br6 octahedra and faces with eight equivalent Rb(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Tl(1) is bonded to six equivalent Br(1) atoms to form TlBr6 octahedra that share corners with six equivalent Hg(1)Br6 octahedra and faces with eight equivalent Rb(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Br(1) is bonded in a distorted linear geometry to four equivalent Rb(1), one Hg(1), and one Tl(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2TlHgBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.112
_cell_length_b   8.112
_cell_length_c   8.112
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   377.453
_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
  Rb  Rb0  1  0.750  0.750  0.750  1.0
  Rb  Rb1  1  0.250  0.250  0.250  1.0
  Tl  Tl2  1  0.000  0.000  0.000  1.0
  Hg  Hg3  1  0.500  0.500  0.500  1.0
  Br  Br4  1  0.746  0.254  0.254  1.0
  Br  Br5  1  0.254  0.254  0.746  1.0
  Br  Br6  1  0.254  0.746  0.746  1.0
  Br  Br7  1  0.254  0.746  0.254  1.0
  Br  Br8  1  0.746  0.254  0.746  1.0
  Br  Br9  1  0.746  0.746  0.254  1.0
[/CIF]
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The material described by Rb2HgTlBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Rb(1) is bonded to twelve equivalent Br(1) atoms to form RbBr12 cuboctahedra that share corners with twelve equivalent Rb(1)Br12 cuboctahedra, faces with six equivalent Rb(1)Br12 cuboctahedra, faces with four equivalent Hg(1)Br6 octahedra, and faces with four equivalent Tl(1)Br6 octahedra. Hg(1) is bonded to six equivalent Br(1) atoms to form HgBr6 octahedra that share corners with six equivalent Tl(1)Br6 octahedra and faces with eight equivalent Rb(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Tl(1) is bonded to six equivalent Br(1) atoms to form TlBr6 octahedra that share corners with six equivalent Hg(1)Br6 octahedra and faces with eight equivalent Rb(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Br(1) is bonded in a distorted linear geometry to four equivalent Rb(1), one Hg(1), and one Tl(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2TlHgBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.112
_cell_length_b   8.112
_cell_length_c   8.112
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   377.453
_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
  Rb  Rb0  1  0.750  0.750  0.750  1.0
  Rb  Rb1  1  0.250  0.250  0.250  1.0
  Tl  Tl2  1  0.000  0.000  0.000  1.0
  Hg  Hg3  1  0.500  0.500  0.500  1.0
  Br  Br4  1  0.746  0.254  0.254  1.0
  Br  Br5  1  0.254  0.254  0.746  1.0
  Br  Br6  1  0.254  0.746  0.746  1.0
  Br  Br7  1  0.254  0.746  0.254  1.0
  Br  Br8  1  0.746  0.254  0.746  1.0
  Br  Br9  1  0.746  0.746  0.254  1.0
[/CIF]
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