The material described by RbFeCl3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Rb(1) is bonded to twelve equivalent Cl(1) atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent Rb(1)Cl12 cuboctahedra, faces with six equivalent Rb(1)Cl12 cuboctahedra, and faces with eight equivalent Fe(1)Cl6 octahedra. Fe(1) is bonded to six equivalent Cl(1) atoms to form FeCl6 octahedra that share corners with six equivalent Fe(1)Cl6 octahedra and faces with eight equivalent Rb(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. Cl(1) is bonded to four equivalent Rb(1) and two equivalent Fe(1) atoms to form a mixture of distorted corner, edge, and face-sharing ClRb4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF file [CIF]
data_RbFeCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.930
_cell_length_b   4.930
_cell_length_c   4.930
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   119.832
_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  0.500  0.500  0.500  1.0
  Fe  Fe1  1  0.000  0.000  0.000  1.0
  Cl  Cl2  1  0.500  0.000  0.000  1.0
  Cl  Cl3  1  0.000  0.500  0.000  1.0
  Cl  Cl4  1  0.000  0.000  0.500  1.0
[/CIF]
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The material described by RbFeCl3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Rb(1) is bonded to twelve equivalent Cl(1) atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent Rb(1)Cl12 cuboctahedra, faces with six equivalent Rb(1)Cl12 cuboctahedra, and faces with eight equivalent Fe(1)Cl6 octahedra. Fe(1) is bonded to six equivalent Cl(1) atoms to form FeCl6 octahedra that share corners with six equivalent Fe(1)Cl6 octahedra and faces with eight equivalent Rb(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. Cl(1) is bonded to four equivalent Rb(1) and two equivalent Fe(1) atoms to form a mixture of distorted corner, edge, and face-sharing ClRb4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF file [CIF]
data_RbFeCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.930
_cell_length_b   4.930
_cell_length_c   4.930
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   119.832
_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  0.500  0.500  0.500  1.0
  Fe  Fe1  1  0.000  0.000  0.000  1.0
  Cl  Cl2  1  0.500  0.000  0.000  1.0
  Cl  Cl3  1  0.000  0.500  0.000  1.0
  Cl  Cl4  1  0.000  0.000  0.500  1.0
[/CIF]
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