The compound described by Rb4TlSbCl12 crystallizes in the tetragonal P4/mmm space group. Rb(1) is bonded in a 8-coordinate geometry to two equivalent Cl(1), two equivalent Cl(2), and four equivalent Cl(4) atoms. Tl(1) is bonded in an octahedral geometry to two equivalent Cl(1) and four equivalent Cl(4) atoms. Sb(1) is bonded in an octahedral geometry to two equivalent Cl(2) and four Cl(3,3) atoms. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to four equivalent Rb(1) and one Tl(1) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to four equivalent Rb(1) and one Sb(1) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Sb(1) atom. In the fourth Cl site, Cl(4) is bonded to four equivalent Rb(1) and one Tl(1) atom to form a mixture of face, corner, and edge-sharing ClRb4Tl square pyramids. In the fifth Cl site, Cl(3) is bonded in a single-bond geometry to one Sb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb4TlSbCl12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.500
_cell_length_b   7.500
_cell_length_c   10.386
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   584.153
_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  0.500  0.000  0.786  1.0
  Rb  Rb1  1  0.000  0.500  0.214  1.0
  Rb  Rb2  1  0.500  0.000  0.214  1.0
  Rb  Rb3  1  0.000  0.500  0.786  1.0
  Tl  Tl4  1  0.000  0.000  0.000  1.0
  Sb  Sb5  1  0.500  0.500  0.500  1.0
  Cl  Cl6  1  0.000  0.000  0.749  1.0
  Cl  Cl7  1  0.500  0.500  0.266  1.0
  Cl  Cl8  1  0.728  0.728  0.500  1.0
  Cl  Cl9  1  0.249  0.249  0.000  1.0
  Cl  Cl10  1  0.728  0.272  0.500  1.0
  Cl  Cl11  1  0.249  0.751  0.000  1.0
  Cl  Cl12  1  0.000  0.000  0.251  1.0
  Cl  Cl13  1  0.500  0.500  0.734  1.0
  Cl  Cl14  1  0.272  0.272  0.500  1.0
  Cl  Cl15  1  0.751  0.751  0.000  1.0
  Cl  Cl16  1  0.272  0.728  0.500  1.0
  Cl  Cl17  1  0.751  0.249  0.000  1.0
[/CIF]
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The compound described by Rb4TlSbCl12 crystallizes in the tetragonal P4/mmm space group. Rb(1) is bonded in a 8-coordinate geometry to two equivalent Cl(1), two equivalent Cl(2), and four equivalent Cl(4) atoms. Tl(1) is bonded in an octahedral geometry to two equivalent Cl(1) and four equivalent Cl(4) atoms. Sb(1) is bonded in an octahedral geometry to two equivalent Cl(2) and four Cl(3,3) atoms. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to four equivalent Rb(1) and one Tl(1) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to four equivalent Rb(1) and one Sb(1) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Sb(1) atom. In the fourth Cl site, Cl(4) is bonded to four equivalent Rb(1) and one Tl(1) atom to form a mixture of face, corner, and edge-sharing ClRb4Tl square pyramids. In the fifth Cl site, Cl(3) is bonded in a single-bond geometry to one Sb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb4TlSbCl12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.500
_cell_length_b   7.500
_cell_length_c   10.386
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   584.153
_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  0.500  0.000  0.786  1.0
  Rb  Rb1  1  0.000  0.500  0.214  1.0
  Rb  Rb2  1  0.500  0.000  0.214  1.0
  Rb  Rb3  1  0.000  0.500  0.786  1.0
  Tl  Tl4  1  0.000  0.000  0.000  1.0
  Sb  Sb5  1  0.500  0.500  0.500  1.0
  Cl  Cl6  1  0.000  0.000  0.749  1.0
  Cl  Cl7  1  0.500  0.500  0.266  1.0
  Cl  Cl8  1  0.728  0.728  0.500  1.0
  Cl  Cl9  1  0.249  0.249  0.000  1.0
  Cl  Cl10  1  0.728  0.272  0.500  1.0
  Cl  Cl11  1  0.249  0.751  0.000  1.0
  Cl  Cl12  1  0.000  0.000  0.251  1.0
  Cl  Cl13  1  0.500  0.500  0.734  1.0
  Cl  Cl14  1  0.272  0.272  0.500  1.0
  Cl  Cl15  1  0.751  0.751  0.000  1.0
  Cl  Cl16  1  0.272  0.728  0.500  1.0
  Cl  Cl17  1  0.751  0.249  0.000  1.0
[/CIF]
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