The material structure described by Rb8Zr6MnBr20 crystallizes in the cubic Fm-3m space group. Rb(1) is bonded in a 4-coordinate geometry to one Br(3) and three equivalent Br(2) atoms. Zr(1) is bonded to one Mn(1), one Br(2), and four equivalent Br(1) atoms to form a mixture of corner and edge-sharing ZrMnBr5 octahedra. The corner-sharing octahedra are not tilted. Mn(1) is bonded to six equivalent Zr(1) atoms to form MnZr6 octahedra that share corners with six equivalent Br(2)Rb4Zr square pyramids. There are three inequivalent Br sites. In the first Br site, Br(2) is bonded to four equivalent Rb(1) and one Zr(1) atom to form distorted BrRb4Zr square pyramids that share  a cornercorner with one Mn(1)Zr6 octahedra, corners with four equivalent Br(3)Rb4 tetrahedra, and edges with four equivalent Br(2)Rb4Zr square pyramids. The corner-sharing octahedra are not tilted. In the second Br site, Br(3) is bonded to four equivalent Rb(1) atoms to form corner-sharing BrRb4 tetrahedra. In the third Br site, Br(1) is bonded in a distorted L-shaped geometry to two equivalent Zr(1) atoms. is represented by the CIF file [CIF]
data_Rb8Zr6MnBr20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.084
_cell_length_b   12.084
_cell_length_c   12.084
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   1247.795
_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  0.360  0.360  0.360  1.0
  Rb  Rb1  1  0.640  0.640  0.640  1.0
  Rb  Rb2  1  0.360  0.360  0.921  1.0
  Rb  Rb3  1  0.360  0.921  0.360  1.0
  Rb  Rb4  1  0.640  0.640  0.079  1.0
  Rb  Rb5  1  0.640  0.079  0.640  1.0
  Rb  Rb6  1  0.921  0.360  0.360  1.0
  Rb  Rb7  1  0.079  0.640  0.640  1.0
  Zr  Zr8  1  0.857  0.143  0.143  1.0
  Zr  Zr9  1  0.143  0.857  0.857  1.0
  Zr  Zr10  1  0.143  0.857  0.143  1.0
  Zr  Zr11  1  0.857  0.143  0.857  1.0
  Zr  Zr12  1  0.143  0.143  0.857  1.0
  Zr  Zr13  1  0.857  0.857  0.143  1.0
  Mn  Mn14  1  0.000  0.000  0.000  1.0
  Br  Br15  1  0.323  0.000  0.000  1.0
  Br  Br16  1  0.677  0.000  0.000  1.0
  Br  Br17  1  0.000  0.323  0.677  1.0
  Br  Br18  1  0.000  0.677  0.323  1.0
  Br  Br19  1  0.000  0.323  0.000  1.0
  Br  Br20  1  0.677  0.000  0.323  1.0
  Br  Br21  1  0.000  0.677  0.000  1.0
  Br  Br22  1  0.323  0.000  0.677  1.0
  Br  Br23  1  0.000  0.000  0.323  1.0
  Br  Br24  1  0.000  0.000  0.677  1.0
  Br  Br25  1  0.677  0.323  0.000  1.0
  Br  Br26  1  0.323  0.677  0.000  1.0
  Br  Br27  1  0.685  0.315  0.315  1.0
  Br  Br28  1  0.315  0.685  0.685  1.0
  Br  Br29  1  0.315  0.685  0.315  1.0
  Br  Br30  1  0.685  0.315  0.685  1.0
  Br  Br31  1  0.315  0.315  0.685  1.0
  Br  Br32  1  0.685  0.685  0.315  1.0
  Br  Br33  1  0.250  0.250  0.250  1.0
  Br  Br34  1  0.750  0.750  0.750  1.0
[/CIF]
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The material structure described by Rb8Zr6MnBr20 crystallizes in the cubic Fm-3m space group. Rb(1) is bonded in a 4-coordinate geometry to one Br(3) and three equivalent Br(2) atoms. Zr(1) is bonded to one Mn(1), one Br(2), and four equivalent Br(1) atoms to form a mixture of corner and edge-sharing ZrMnBr5 octahedra. The corner-sharing octahedra are not tilted. Mn(1) is bonded to six equivalent Zr(1) atoms to form MnZr6 octahedra that share corners with six equivalent Br(2)Rb4Zr square pyramids. There are three inequivalent Br sites. In the first Br site, Br(2) is bonded to four equivalent Rb(1) and one Zr(1) atom to form distorted BrRb4Zr square pyramids that share  a cornercorner with one Mn(1)Zr6 octahedra, corners with four equivalent Br(3)Rb4 tetrahedra, and edges with four equivalent Br(2)Rb4Zr square pyramids. The corner-sharing octahedra are not tilted. In the second Br site, Br(3) is bonded to four equivalent Rb(1) atoms to form corner-sharing BrRb4 tetrahedra. In the third Br site, Br(1) is bonded in a distorted L-shaped geometry to two equivalent Zr(1) atoms. is represented by the CIF file [CIF]
data_Rb8Zr6MnBr20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.084
_cell_length_b   12.084
_cell_length_c   12.084
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   1247.795
_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  0.360  0.360  0.360  1.0
  Rb  Rb1  1  0.640  0.640  0.640  1.0
  Rb  Rb2  1  0.360  0.360  0.921  1.0
  Rb  Rb3  1  0.360  0.921  0.360  1.0
  Rb  Rb4  1  0.640  0.640  0.079  1.0
  Rb  Rb5  1  0.640  0.079  0.640  1.0
  Rb  Rb6  1  0.921  0.360  0.360  1.0
  Rb  Rb7  1  0.079  0.640  0.640  1.0
  Zr  Zr8  1  0.857  0.143  0.143  1.0
  Zr  Zr9  1  0.143  0.857  0.857  1.0
  Zr  Zr10  1  0.143  0.857  0.143  1.0
  Zr  Zr11  1  0.857  0.143  0.857  1.0
  Zr  Zr12  1  0.143  0.143  0.857  1.0
  Zr  Zr13  1  0.857  0.857  0.143  1.0
  Mn  Mn14  1  0.000  0.000  0.000  1.0
  Br  Br15  1  0.323  0.000  0.000  1.0
  Br  Br16  1  0.677  0.000  0.000  1.0
  Br  Br17  1  0.000  0.323  0.677  1.0
  Br  Br18  1  0.000  0.677  0.323  1.0
  Br  Br19  1  0.000  0.323  0.000  1.0
  Br  Br20  1  0.677  0.000  0.323  1.0
  Br  Br21  1  0.000  0.677  0.000  1.0
  Br  Br22  1  0.323  0.000  0.677  1.0
  Br  Br23  1  0.000  0.000  0.323  1.0
  Br  Br24  1  0.000  0.000  0.677  1.0
  Br  Br25  1  0.677  0.323  0.000  1.0
  Br  Br26  1  0.323  0.677  0.000  1.0
  Br  Br27  1  0.685  0.315  0.315  1.0
  Br  Br28  1  0.315  0.685  0.685  1.0
  Br  Br29  1  0.315  0.685  0.315  1.0
  Br  Br30  1  0.685  0.315  0.685  1.0
  Br  Br31  1  0.315  0.315  0.685  1.0
  Br  Br32  1  0.685  0.685  0.315  1.0
  Br  Br33  1  0.250  0.250  0.250  1.0
  Br  Br34  1  0.750  0.750  0.750  1.0
[/CIF]
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