The compound described by Rb2SbBr6 crystallizes in the tetragonal I4_1/a space group. Rb(1) is bonded in a 11-coordinate geometry to two equivalent Br(3), two equivalent Br(4), three equivalent Br(1), and four equivalent Br(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in an octahedral geometry to two equivalent Br(3) and four equivalent Br(1) atoms. In the second Sb site, Sb(2) is bonded in an octahedral geometry to two equivalent Br(4) and four equivalent Br(2) atoms. There are four inequivalent Br sites. In the first Br site, Br(4) is bonded to four equivalent Rb(1) and one Sb(2) atom to form a mixture of edge, corner, and face-sharing BrRb4Sb square pyramids. In the second Br site, Br(1) is bonded in a 1-coordinate geometry to three equivalent Rb(1) and one Sb(1) atom. In the third Br site, Br(2) is bonded to four equivalent Rb(1) and one Sb(2) atom to form a mixture of distorted edge, corner, and face-sharing BrRb4Sb square pyramids. In the fourth Br site, Br(3) is bonded in a distorted single-bond geometry to four equivalent Rb(1) and one Sb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2SbBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.566
_cell_length_b   13.566
_cell_length_c   13.566
_cell_angle_alpha   132.245
_cell_angle_beta   132.245
_cell_angle_gamma   69.843
_symmetry_Int_Tables_number   1
_cell_volume   1341.751
_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
  Rb  Rb0  1  0.377  0.359  0.482  1.0
  Rb  Rb1  1  0.105  0.623  0.982  1.0
  Rb  Rb2  1  0.878  0.895  0.518  1.0
  Rb  Rb3  1  0.109  0.128  0.482  1.0
  Rb  Rb4  1  0.373  0.891  0.018  1.0
  Rb  Rb5  1  0.645  0.627  0.518  1.0
  Rb  Rb6  1  0.641  0.122  0.018  1.0
  Rb  Rb7  1  0.872  0.355  0.982  1.0
  Sb  Sb8  1  0.250  0.750  0.500  1.0
  Sb  Sb9  1  0.500  0.500  0.000  1.0
  Sb  Sb10  1  0.750  0.250  0.500  1.0
  Sb  Sb11  1  0.000  0.000  0.000  1.0
  Br  Br12  1  0.008  0.776  0.283  1.0
  Br  Br13  1  0.016  0.254  0.263  1.0
  Br  Br14  1  0.276  0.992  0.768  1.0
  Br  Br15  1  0.004  0.240  0.738  1.0
  Br  Br16  1  0.130  0.630  0.500  1.0
  Br  Br17  1  0.258  0.526  0.783  1.0
  Br  Br18  1  0.492  0.724  0.717  1.0
  Br  Br19  1  0.503  0.266  0.262  1.0
  Br  Br20  1  0.474  0.258  0.732  1.0
  Br  Br21  1  0.620  0.620  0.000  1.0
  Br  Br22  1  0.526  0.742  0.268  1.0
  Br  Br23  1  0.124  0.124  0.000  1.0
  Br  Br24  1  0.876  0.876  0.000  1.0
  Br  Br25  1  0.990  0.753  0.737  1.0
  Br  Br26  1  0.746  0.010  0.762  1.0
  Br  Br27  1  0.247  0.984  0.238  1.0
  Br  Br28  1  0.742  0.474  0.217  1.0
  Br  Br29  1  0.224  0.508  0.232  1.0
  Br  Br30  1  0.370  0.870  0.500  1.0
  Br  Br31  1  0.874  0.374  0.500  1.0
  Br  Br32  1  0.380  0.380  0.000  1.0
  Br  Br33  1  0.626  0.126  0.500  1.0
  Br  Br34  1  0.760  0.497  0.763  1.0
  Br  Br35  1  0.734  0.996  0.237  1.0
[/CIF]
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The compound described by Rb2SbBr6 crystallizes in the tetragonal I4_1/a space group. Rb(1) is bonded in a 11-coordinate geometry to two equivalent Br(3), two equivalent Br(4), three equivalent Br(1), and four equivalent Br(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in an octahedral geometry to two equivalent Br(3) and four equivalent Br(1) atoms. In the second Sb site, Sb(2) is bonded in an octahedral geometry to two equivalent Br(4) and four equivalent Br(2) atoms. There are four inequivalent Br sites. In the first Br site, Br(4) is bonded to four equivalent Rb(1) and one Sb(2) atom to form a mixture of edge, corner, and face-sharing BrRb4Sb square pyramids. In the second Br site, Br(1) is bonded in a 1-coordinate geometry to three equivalent Rb(1) and one Sb(1) atom. In the third Br site, Br(2) is bonded to four equivalent Rb(1) and one Sb(2) atom to form a mixture of distorted edge, corner, and face-sharing BrRb4Sb square pyramids. In the fourth Br site, Br(3) is bonded in a distorted single-bond geometry to four equivalent Rb(1) and one Sb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2SbBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.566
_cell_length_b   13.566
_cell_length_c   13.566
_cell_angle_alpha   132.245
_cell_angle_beta   132.245
_cell_angle_gamma   69.843
_symmetry_Int_Tables_number   1
_cell_volume   1341.751
_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
  Rb  Rb0  1  0.377  0.359  0.482  1.0
  Rb  Rb1  1  0.105  0.623  0.982  1.0
  Rb  Rb2  1  0.878  0.895  0.518  1.0
  Rb  Rb3  1  0.109  0.128  0.482  1.0
  Rb  Rb4  1  0.373  0.891  0.018  1.0
  Rb  Rb5  1  0.645  0.627  0.518  1.0
  Rb  Rb6  1  0.641  0.122  0.018  1.0
  Rb  Rb7  1  0.872  0.355  0.982  1.0
  Sb  Sb8  1  0.250  0.750  0.500  1.0
  Sb  Sb9  1  0.500  0.500  0.000  1.0
  Sb  Sb10  1  0.750  0.250  0.500  1.0
  Sb  Sb11  1  0.000  0.000  0.000  1.0
  Br  Br12  1  0.008  0.776  0.283  1.0
  Br  Br13  1  0.016  0.254  0.263  1.0
  Br  Br14  1  0.276  0.992  0.768  1.0
  Br  Br15  1  0.004  0.240  0.738  1.0
  Br  Br16  1  0.130  0.630  0.500  1.0
  Br  Br17  1  0.258  0.526  0.783  1.0
  Br  Br18  1  0.492  0.724  0.717  1.0
  Br  Br19  1  0.503  0.266  0.262  1.0
  Br  Br20  1  0.474  0.258  0.732  1.0
  Br  Br21  1  0.620  0.620  0.000  1.0
  Br  Br22  1  0.526  0.742  0.268  1.0
  Br  Br23  1  0.124  0.124  0.000  1.0
  Br  Br24  1  0.876  0.876  0.000  1.0
  Br  Br25  1  0.990  0.753  0.737  1.0
  Br  Br26  1  0.746  0.010  0.762  1.0
  Br  Br27  1  0.247  0.984  0.238  1.0
  Br  Br28  1  0.742  0.474  0.217  1.0
  Br  Br29  1  0.224  0.508  0.232  1.0
  Br  Br30  1  0.370  0.870  0.500  1.0
  Br  Br31  1  0.874  0.374  0.500  1.0
  Br  Br32  1  0.380  0.380  0.000  1.0
  Br  Br33  1  0.626  0.126  0.500  1.0
  Br  Br34  1  0.760  0.497  0.763  1.0
  Br  Br35  1  0.734  0.996  0.237  1.0
[/CIF]
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