The crystal structure described by Rb2NaScI6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Rb(1) is bonded to twelve equivalent I(1) atoms to form RbI12 cuboctahedra that share corners with twelve equivalent Rb(1)I12 cuboctahedra, faces with six equivalent Rb(1)I12 cuboctahedra, faces with four equivalent Na(1)I6 octahedra, and faces with four equivalent Sc(1)I6 octahedra. Na(1) is bonded to six equivalent I(1) atoms to form NaI6 octahedra that share corners with six equivalent Sc(1)I6 octahedra and faces with eight equivalent Rb(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. Sc(1) is bonded to six equivalent I(1) atoms to form ScI6 octahedra that share corners with six equivalent Na(1)I6 octahedra and faces with eight equivalent Rb(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. I(1) is bonded in a linear geometry to four equivalent Rb(1), one Na(1), and one Sc(1) atom. is represented by the CIF card [CIF]
data_Rb2NaScI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.448
_cell_length_b   8.448
_cell_length_c   8.448
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   426.301
_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
  Na  Na2  1  0.500  0.500  0.500  1.0
  Sc  Sc3  1  0.000  0.000  0.000  1.0
  I  I4  1  0.759  0.241  0.241  1.0
  I  I5  1  0.241  0.241  0.759  1.0
  I  I6  1  0.241  0.759  0.759  1.0
  I  I7  1  0.241  0.759  0.241  1.0
  I  I8  1  0.759  0.241  0.759  1.0
  I  I9  1  0.759  0.759  0.241  1.0
[/CIF]
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The crystal structure described by Rb2NaScI6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Rb(1) is bonded to twelve equivalent I(1) atoms to form RbI12 cuboctahedra that share corners with twelve equivalent Rb(1)I12 cuboctahedra, faces with six equivalent Rb(1)I12 cuboctahedra, faces with four equivalent Na(1)I6 octahedra, and faces with four equivalent Sc(1)I6 octahedra. Na(1) is bonded to six equivalent I(1) atoms to form NaI6 octahedra that share corners with six equivalent Sc(1)I6 octahedra and faces with eight equivalent Rb(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. Sc(1) is bonded to six equivalent I(1) atoms to form ScI6 octahedra that share corners with six equivalent Na(1)I6 octahedra and faces with eight equivalent Rb(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. I(1) is bonded in a linear geometry to four equivalent Rb(1), one Na(1), and one Sc(1) atom. is represented by the CIF card [CIF]
data_Rb2NaScI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.448
_cell_length_b   8.448
_cell_length_c   8.448
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   426.301
_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
  Na  Na2  1  0.500  0.500  0.500  1.0
  Sc  Sc3  1  0.000  0.000  0.000  1.0
  I  I4  1  0.759  0.241  0.241  1.0
  I  I5  1  0.241  0.241  0.759  1.0
  I  I6  1  0.241  0.759  0.759  1.0
  I  I7  1  0.241  0.759  0.241  1.0
  I  I8  1  0.759  0.241  0.759  1.0
  I  I9  1  0.759  0.759  0.241  1.0
[/CIF]
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