The compound described by Rb2MoCuBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Rb(1) is bonded to twelve equivalent Br(1) atoms to form RbBr12 cuboctahedra that share corners with twelve equivalent Rb(1)Br12 cuboctahedra, faces with six equivalent Rb(1)Br12 cuboctahedra, faces with four equivalent Mo(1)Br6 octahedra, and faces with four equivalent Cu(1)Br6 octahedra. Mo(1) is bonded to six equivalent Br(1) atoms to form MoBr6 octahedra that share corners with six equivalent Cu(1)Br6 octahedra and faces with eight equivalent Rb(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Cu(1) is bonded to six equivalent Br(1) atoms to form CuBr6 octahedra that share corners with six equivalent Mo(1)Br6 octahedra and faces with eight equivalent Rb(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Br(1) is bonded to four equivalent Rb(1), one Mo(1), and one Cu(1) atom to form a mixture of distorted corner, edge, and face-sharing BrRb4CuMo octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF card [CIF]
data_Rb2CuMoBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.538
_cell_length_b   7.538
_cell_length_c   7.538
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   302.876
_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  0.750  0.750  0.750  1.0
  Rb  Rb1  1  0.250  0.250  0.250  1.0
  Cu  Cu2  1  0.500  0.500  0.500  1.0
  Mo  Mo3  1  0.000  0.000  0.000  1.0
  Br  Br4  1  0.752  0.248  0.248  1.0
  Br  Br5  1  0.248  0.248  0.752  1.0
  Br  Br6  1  0.248  0.752  0.752  1.0
  Br  Br7  1  0.248  0.752  0.248  1.0
  Br  Br8  1  0.752  0.248  0.752  1.0
  Br  Br9  1  0.752  0.752  0.248  1.0
[/CIF]
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The compound described by Rb2MoCuBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Rb(1) is bonded to twelve equivalent Br(1) atoms to form RbBr12 cuboctahedra that share corners with twelve equivalent Rb(1)Br12 cuboctahedra, faces with six equivalent Rb(1)Br12 cuboctahedra, faces with four equivalent Mo(1)Br6 octahedra, and faces with four equivalent Cu(1)Br6 octahedra. Mo(1) is bonded to six equivalent Br(1) atoms to form MoBr6 octahedra that share corners with six equivalent Cu(1)Br6 octahedra and faces with eight equivalent Rb(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Cu(1) is bonded to six equivalent Br(1) atoms to form CuBr6 octahedra that share corners with six equivalent Mo(1)Br6 octahedra and faces with eight equivalent Rb(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Br(1) is bonded to four equivalent Rb(1), one Mo(1), and one Cu(1) atom to form a mixture of distorted corner, edge, and face-sharing BrRb4CuMo octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF card [CIF]
data_Rb2CuMoBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.538
_cell_length_b   7.538
_cell_length_c   7.538
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   302.876
_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  0.750  0.750  0.750  1.0
  Rb  Rb1  1  0.250  0.250  0.250  1.0
  Cu  Cu2  1  0.500  0.500  0.500  1.0
  Mo  Mo3  1  0.000  0.000  0.000  1.0
  Br  Br4  1  0.752  0.248  0.248  1.0
  Br  Br5  1  0.248  0.248  0.752  1.0
  Br  Br6  1  0.248  0.752  0.752  1.0
  Br  Br7  1  0.248  0.752  0.248  1.0
  Br  Br8  1  0.752  0.248  0.752  1.0
  Br  Br9  1  0.752  0.752  0.248  1.0
[/CIF]
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