The structure described by ScRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Sc(1) is bonded to twelve equivalent Rh(1) atoms to form ScRh12 cuboctahedra that share corners with twelve equivalent Sc(1)Rh12 cuboctahedra, faces with six equivalent Sc(1)Rh12 cuboctahedra, and faces with eight equivalent B(1)Rh6 octahedra. Rh(1) is bonded to four equivalent Sc(1) and two equivalent B(1) atoms to form a mixture of distorted face, corner, and edge-sharing RhSc4B2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. B(1) is bonded to six equivalent Rh(1) atoms to form BRh6 octahedra that share corners with six equivalent B(1)Rh6 octahedra and faces with eight equivalent Sc(1)Rh12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_ScBRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.097
_cell_length_b   4.097
_cell_length_c   4.097
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   68.753
_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
  Sc  Sc0  1  0.000  0.000  0.000  1.0
  B  B1  1  0.500  0.500  0.500  1.0
  Rh  Rh2  1  0.000  0.500  0.500  1.0
  Rh  Rh3  1  0.500  0.000  0.500  1.0
  Rh  Rh4  1  0.500  0.500  0.000  1.0
[/CIF]
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The structure described by ScRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Sc(1) is bonded to twelve equivalent Rh(1) atoms to form ScRh12 cuboctahedra that share corners with twelve equivalent Sc(1)Rh12 cuboctahedra, faces with six equivalent Sc(1)Rh12 cuboctahedra, and faces with eight equivalent B(1)Rh6 octahedra. Rh(1) is bonded to four equivalent Sc(1) and two equivalent B(1) atoms to form a mixture of distorted face, corner, and edge-sharing RhSc4B2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. B(1) is bonded to six equivalent Rh(1) atoms to form BRh6 octahedra that share corners with six equivalent B(1)Rh6 octahedra and faces with eight equivalent Sc(1)Rh12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_ScBRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.097
_cell_length_b   4.097
_cell_length_c   4.097
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   68.753
_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
  Sc  Sc0  1  0.000  0.000  0.000  1.0
  B  B1  1  0.500  0.500  0.500  1.0
  Rh  Rh2  1  0.000  0.500  0.500  1.0
  Rh  Rh3  1  0.500  0.000  0.500  1.0
  Rh  Rh4  1  0.500  0.500  0.000  1.0
[/CIF]
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