The crystal structure described by Rb3IrOBr6 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 10-coordinate geometry to one Br(2), two equivalent Br(4), three equivalent Br(1), and four equivalent Br(3) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to two equivalent Br(2), two equivalent Br(3), and four equivalent Br(4) atoms. In the third Rb site, Rb(3) is bonded in a 8-coordinate geometry to one O(1), one Br(1), two equivalent Br(2), two equivalent Br(3), and two equivalent Br(4) atoms. Ir(1) is bonded in an octahedral geometry to one Br(1), one Br(2), two equivalent Br(3), and two equivalent Br(4) atoms. O(1) is bonded in a single-bond geometry to one Rb(3) atom. There are four inequivalent Br sites. In the first Br site, Br(4) is bonded in a 5-coordinate geometry to one Rb(1), one Rb(3), two equivalent Rb(2), and one Ir(1) atom. In the second Br site, Br(1) is bonded to one Rb(3), three equivalent Rb(1), and one Ir(1) atom to form distorted BrRb4Ir trigonal bipyramids that share corners with two equivalent Br(2)Rb5Ir octahedra, corners with six equivalent Br(3)Rb4Ir square pyramids, corners with two equivalent Br(1)Rb4Ir trigonal bipyramids, edges with two equivalent Br(2)Rb5Ir octahedra, edges with two equivalent Br(3)Rb4Ir square pyramids, edges with two equivalent Br(1)Rb4Ir trigonal bipyramids, and faces with two equivalent Br(3)Rb4Ir square pyramids. The corner-sharing octahedral tilt angles range from 0-52°. In the third Br site, Br(2) is bonded to one Rb(1), two equivalent Rb(2), two equivalent Rb(3), and one Ir(1) atom to form distorted BrRb5Ir octahedra that share corners with four equivalent Br(2)Rb5Ir octahedra, corners with four equivalent Br(3)Rb4Ir square pyramids, corners with two equivalent Br(1)Rb4Ir trigonal bipyramids, edges with two equivalent Br(3)Rb4Ir square pyramids, edges with two equivalent Br(1)Rb4Ir trigonal bipyramids, and faces with two equivalent Br(3)Rb4Ir square pyramids. The corner-sharing octahedral tilt angles range from 10-53°. In the fourth Br site, Br(3) is bonded to one Rb(2), one Rb(3), two equivalent Rb(1), and one Ir(1) atom to form distorted BrRb4Ir square pyramids that share corners with two equivalent Br(2)Rb5Ir octahedra, corners with two equivalent Br(3)Rb4Ir square pyramids, corners with three equivalent Br(1)Rb4Ir trigonal bipyramids,  an edgeedge with one Br(2)Rb5Ir octahedra, edges with two equivalent Br(3)Rb4Ir square pyramids,  an edgeedge with one Br(1)Rb4Ir trigonal bipyramid,  a faceface with one Br(2)Rb5Ir octahedra,  a faceface with one Br(3)Rb4Ir square pyramid, and  a faceface with one Br(1)Rb4Ir trigonal bipyramid. The corner-sharing octahedral tilt angles range from 37-59°. is represented by the CIF file [CIF]
data_Rb3IrBr6O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.427
_cell_length_b   12.977
_cell_length_c   15.383
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1482.656
_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  0.250  0.111  0.465  1.0
  Rb  Rb1  1  0.250  0.611  0.035  1.0
  Rb  Rb2  1  0.750  0.889  0.535  1.0
  Rb  Rb3  1  0.750  0.389  0.965  1.0
  Rb  Rb4  1  0.750  0.058  0.854  1.0
  Rb  Rb5  1  0.750  0.558  0.646  1.0
  Rb  Rb6  1  0.250  0.942  0.146  1.0
  Rb  Rb7  1  0.250  0.442  0.354  1.0
  Rb  Rb8  1  0.250  0.328  0.726  1.0
  Rb  Rb9  1  0.250  0.828  0.774  1.0
  Rb  Rb10  1  0.750  0.672  0.274  1.0
  Rb  Rb11  1  0.750  0.172  0.226  1.0
  Ir  Ir12  1  0.250  0.274  0.097  1.0
  Ir  Ir13  1  0.250  0.774  0.403  1.0
  Ir  Ir14  1  0.750  0.726  0.903  1.0
  Ir  Ir15  1  0.750  0.226  0.597  1.0
  Br  Br16  1  0.250  0.362  0.952  1.0
  Br  Br17  1  0.250  0.862  0.548  1.0
  Br  Br18  1  0.750  0.638  0.048  1.0
  Br  Br19  1  0.750  0.138  0.452  1.0
  Br  Br20  1  0.250  0.186  0.245  1.0
  Br  Br21  1  0.250  0.686  0.255  1.0
  Br  Br22  1  0.750  0.814  0.755  1.0
  Br  Br23  1  0.750  0.314  0.745  1.0
  Br  Br24  1  0.015  0.397  0.153  1.0
  Br  Br25  1  0.485  0.897  0.347  1.0
  Br  Br26  1  0.515  0.603  0.847  1.0
  Br  Br27  1  0.985  0.103  0.653  1.0
  Br  Br28  1  0.985  0.603  0.847  1.0
  Br  Br29  1  0.515  0.103  0.653  1.0
  Br  Br30  1  0.485  0.397  0.153  1.0
  Br  Br31  1  0.015  0.897  0.347  1.0
  Br  Br32  1  0.015  0.153  0.041  1.0
  Br  Br33  1  0.485  0.653  0.459  1.0
  Br  Br34  1  0.515  0.847  0.959  1.0
  Br  Br35  1  0.985  0.347  0.541  1.0
  Br  Br36  1  0.985  0.847  0.959  1.0
  Br  Br37  1  0.515  0.347  0.541  1.0
  Br  Br38  1  0.485  0.153  0.041  1.0
  Br  Br39  1  0.015  0.653  0.459  1.0
  O  O40  1  0.250  0.062  0.845  1.0
  O  O41  1  0.250  0.562  0.655  1.0
  O  O42  1  0.750  0.938  0.155  1.0
  O  O43  1  0.750  0.438  0.345  1.0
[/CIF]
.
The crystal structure described by Rb3IrOBr6 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 10-coordinate geometry to one Br(2), two equivalent Br(4), three equivalent Br(1), and four equivalent Br(3) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to two equivalent Br(2), two equivalent Br(3), and four equivalent Br(4) atoms. In the third Rb site, Rb(3) is bonded in a 8-coordinate geometry to one O(1), one Br(1), two equivalent Br(2), two equivalent Br(3), and two equivalent Br(4) atoms. Ir(1) is bonded in an octahedral geometry to one Br(1), one Br(2), two equivalent Br(3), and two equivalent Br(4) atoms. O(1) is bonded in a single-bond geometry to one Rb(3) atom. There are four inequivalent Br sites. In the first Br site, Br(4) is bonded in a 5-coordinate geometry to one Rb(1), one Rb(3), two equivalent Rb(2), and one Ir(1) atom. In the second Br site, Br(1) is bonded to one Rb(3), three equivalent Rb(1), and one Ir(1) atom to form distorted BrRb4Ir trigonal bipyramids that share corners with two equivalent Br(2)Rb5Ir octahedra, corners with six equivalent Br(3)Rb4Ir square pyramids, corners with two equivalent Br(1)Rb4Ir trigonal bipyramids, edges with two equivalent Br(2)Rb5Ir octahedra, edges with two equivalent Br(3)Rb4Ir square pyramids, edges with two equivalent Br(1)Rb4Ir trigonal bipyramids, and faces with two equivalent Br(3)Rb4Ir square pyramids. The corner-sharing octahedral tilt angles range from 0-52°. In the third Br site, Br(2) is bonded to one Rb(1), two equivalent Rb(2), two equivalent Rb(3), and one Ir(1) atom to form distorted BrRb5Ir octahedra that share corners with four equivalent Br(2)Rb5Ir octahedra, corners with four equivalent Br(3)Rb4Ir square pyramids, corners with two equivalent Br(1)Rb4Ir trigonal bipyramids, edges with two equivalent Br(3)Rb4Ir square pyramids, edges with two equivalent Br(1)Rb4Ir trigonal bipyramids, and faces with two equivalent Br(3)Rb4Ir square pyramids. The corner-sharing octahedral tilt angles range from 10-53°. In the fourth Br site, Br(3) is bonded to one Rb(2), one Rb(3), two equivalent Rb(1), and one Ir(1) atom to form distorted BrRb4Ir square pyramids that share corners with two equivalent Br(2)Rb5Ir octahedra, corners with two equivalent Br(3)Rb4Ir square pyramids, corners with three equivalent Br(1)Rb4Ir trigonal bipyramids,  an edgeedge with one Br(2)Rb5Ir octahedra, edges with two equivalent Br(3)Rb4Ir square pyramids,  an edgeedge with one Br(1)Rb4Ir trigonal bipyramid,  a faceface with one Br(2)Rb5Ir octahedra,  a faceface with one Br(3)Rb4Ir square pyramid, and  a faceface with one Br(1)Rb4Ir trigonal bipyramid. The corner-sharing octahedral tilt angles range from 37-59°. is represented by the CIF file [CIF]
data_Rb3IrBr6O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.427
_cell_length_b   12.977
_cell_length_c   15.383
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1482.656
_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  0.250  0.111  0.465  1.0
  Rb  Rb1  1  0.250  0.611  0.035  1.0
  Rb  Rb2  1  0.750  0.889  0.535  1.0
  Rb  Rb3  1  0.750  0.389  0.965  1.0
  Rb  Rb4  1  0.750  0.058  0.854  1.0
  Rb  Rb5  1  0.750  0.558  0.646  1.0
  Rb  Rb6  1  0.250  0.942  0.146  1.0
  Rb  Rb7  1  0.250  0.442  0.354  1.0
  Rb  Rb8  1  0.250  0.328  0.726  1.0
  Rb  Rb9  1  0.250  0.828  0.774  1.0
  Rb  Rb10  1  0.750  0.672  0.274  1.0
  Rb  Rb11  1  0.750  0.172  0.226  1.0
  Ir  Ir12  1  0.250  0.274  0.097  1.0
  Ir  Ir13  1  0.250  0.774  0.403  1.0
  Ir  Ir14  1  0.750  0.726  0.903  1.0
  Ir  Ir15  1  0.750  0.226  0.597  1.0
  Br  Br16  1  0.250  0.362  0.952  1.0
  Br  Br17  1  0.250  0.862  0.548  1.0
  Br  Br18  1  0.750  0.638  0.048  1.0
  Br  Br19  1  0.750  0.138  0.452  1.0
  Br  Br20  1  0.250  0.186  0.245  1.0
  Br  Br21  1  0.250  0.686  0.255  1.0
  Br  Br22  1  0.750  0.814  0.755  1.0
  Br  Br23  1  0.750  0.314  0.745  1.0
  Br  Br24  1  0.015  0.397  0.153  1.0
  Br  Br25  1  0.485  0.897  0.347  1.0
  Br  Br26  1  0.515  0.603  0.847  1.0
  Br  Br27  1  0.985  0.103  0.653  1.0
  Br  Br28  1  0.985  0.603  0.847  1.0
  Br  Br29  1  0.515  0.103  0.653  1.0
  Br  Br30  1  0.485  0.397  0.153  1.0
  Br  Br31  1  0.015  0.897  0.347  1.0
  Br  Br32  1  0.015  0.153  0.041  1.0
  Br  Br33  1  0.485  0.653  0.459  1.0
  Br  Br34  1  0.515  0.847  0.959  1.0
  Br  Br35  1  0.985  0.347  0.541  1.0
  Br  Br36  1  0.985  0.847  0.959  1.0
  Br  Br37  1  0.515  0.347  0.541  1.0
  Br  Br38  1  0.485  0.153  0.041  1.0
  Br  Br39  1  0.015  0.653  0.459  1.0
  O  O40  1  0.250  0.062  0.845  1.0
  O  O41  1  0.250  0.562  0.655  1.0
  O  O42  1  0.750  0.938  0.155  1.0
  O  O43  1  0.750  0.438  0.345  1.0
[/CIF]
.