The structure described by Rb4PbBr6 crystallizes in the trigonal R-3c space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to six equivalent Br(1) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to eight equivalent Br(1) atoms. Pb(1) is bonded in an octahedral geometry to six equivalent Br(1) atoms. Br(1) is bonded to one Rb(1), four equivalent Rb(2), and one Pb(1) atom to form a mixture of corner, face, and edge-sharing BrRb5Pb octahedra. The corner-sharing octahedral tilt angles range from 0-68°. is represented by the CIF file [CIF]
data_Rb4PbBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.503
_cell_length_b   9.503
_cell_length_c   9.503
_cell_angle_alpha   89.660
_cell_angle_beta   89.660
_cell_angle_gamma   89.660
_symmetry_Int_Tables_number   1
_cell_volume   858.039
_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
  Rb  Rb0  1  0.250  0.250  0.250  1.0
  Rb  Rb1  1  0.750  0.750  0.750  1.0
  Rb  Rb2  1  0.750  0.129  0.371  1.0
  Rb  Rb3  1  0.371  0.750  0.129  1.0
  Rb  Rb4  1  0.129  0.371  0.750  1.0
  Rb  Rb5  1  0.250  0.871  0.629  1.0
  Rb  Rb6  1  0.629  0.250  0.871  1.0
  Rb  Rb7  1  0.871  0.629  0.250  1.0
  Pb  Pb8  1  0.000  0.000  0.000  1.0
  Pb  Pb9  1  0.500  0.500  0.500  1.0
  Br  Br10  1  0.441  0.574  0.804  1.0
  Br  Br11  1  0.804  0.441  0.574  1.0
  Br  Br12  1  0.574  0.804  0.441  1.0
  Br  Br13  1  0.059  0.696  0.926  1.0
  Br  Br14  1  0.926  0.059  0.696  1.0
  Br  Br15  1  0.696  0.926  0.059  1.0
  Br  Br16  1  0.559  0.426  0.196  1.0
  Br  Br17  1  0.196  0.559  0.426  1.0
  Br  Br18  1  0.426  0.196  0.559  1.0
  Br  Br19  1  0.941  0.304  0.074  1.0
  Br  Br20  1  0.304  0.074  0.941  1.0
  Br  Br21  1  0.074  0.941  0.304  1.0
[/CIF]
.
The structure described by Rb4PbBr6 crystallizes in the trigonal R-3c space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to six equivalent Br(1) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to eight equivalent Br(1) atoms. Pb(1) is bonded in an octahedral geometry to six equivalent Br(1) atoms. Br(1) is bonded to one Rb(1), four equivalent Rb(2), and one Pb(1) atom to form a mixture of corner, face, and edge-sharing BrRb5Pb octahedra. The corner-sharing octahedral tilt angles range from 0-68°. is represented by the CIF file [CIF]
data_Rb4PbBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.503
_cell_length_b   9.503
_cell_length_c   9.503
_cell_angle_alpha   89.660
_cell_angle_beta   89.660
_cell_angle_gamma   89.660
_symmetry_Int_Tables_number   1
_cell_volume   858.039
_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
  Rb  Rb0  1  0.250  0.250  0.250  1.0
  Rb  Rb1  1  0.750  0.750  0.750  1.0
  Rb  Rb2  1  0.750  0.129  0.371  1.0
  Rb  Rb3  1  0.371  0.750  0.129  1.0
  Rb  Rb4  1  0.129  0.371  0.750  1.0
  Rb  Rb5  1  0.250  0.871  0.629  1.0
  Rb  Rb6  1  0.629  0.250  0.871  1.0
  Rb  Rb7  1  0.871  0.629  0.250  1.0
  Pb  Pb8  1  0.000  0.000  0.000  1.0
  Pb  Pb9  1  0.500  0.500  0.500  1.0
  Br  Br10  1  0.441  0.574  0.804  1.0
  Br  Br11  1  0.804  0.441  0.574  1.0
  Br  Br12  1  0.574  0.804  0.441  1.0
  Br  Br13  1  0.059  0.696  0.926  1.0
  Br  Br14  1  0.926  0.059  0.696  1.0
  Br  Br15  1  0.696  0.926  0.059  1.0
  Br  Br16  1  0.559  0.426  0.196  1.0
  Br  Br17  1  0.196  0.559  0.426  1.0
  Br  Br18  1  0.426  0.196  0.559  1.0
  Br  Br19  1  0.941  0.304  0.074  1.0
  Br  Br20  1  0.304  0.074  0.941  1.0
  Br  Br21  1  0.074  0.941  0.304  1.0
[/CIF]
.