The material structure described by CeRu4As12 crystallizes in the cubic Im-3 space group. Ce(1) is bonded to twelve equivalent As(1) atoms to form CeAs12 cuboctahedra that share faces with eight equivalent Ru(1)As6 octahedra. Ru(1) is bonded to six equivalent As(1) atoms to form RuAs6 octahedra that share corners with six equivalent Ru(1)As6 octahedra and faces with two equivalent Ce(1)As12 cuboctahedra. The corner-sharing octahedral tilt angles are 59°. As(1) is bonded in a 5-coordinate geometry to one Ce(1), two equivalent Ru(1), and two equivalent As(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce(As3Ru)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.388
_cell_length_b   7.388
_cell_length_c   7.388
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   310.411
_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
  Ce  Ce0  1  0.000  0.000  0.000  1.0
  As  As1  1  0.851  0.651  0.502  1.0
  As  As2  1  0.149  0.349  0.498  1.0
  As  As3  1  0.149  0.651  0.801  1.0
  As  As4  1  0.851  0.349  0.199  1.0
  As  As5  1  0.651  0.502  0.851  1.0
  As  As6  1  0.349  0.498  0.149  1.0
  As  As7  1  0.651  0.801  0.149  1.0
  As  As8  1  0.349  0.199  0.851  1.0
  As  As9  1  0.502  0.851  0.651  1.0
  As  As10  1  0.498  0.149  0.349  1.0
  As  As11  1  0.801  0.149  0.651  1.0
  As  As12  1  0.199  0.851  0.349  1.0
  Ru  Ru13  1  0.500  0.500  0.500  1.0
  Ru  Ru14  1  0.500  0.000  0.000  1.0
  Ru  Ru15  1  0.000  0.500  0.000  1.0
  Ru  Ru16  1  0.000  0.000  0.500  1.0
[/CIF]
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The material structure described by CeRu4As12 crystallizes in the cubic Im-3 space group. Ce(1) is bonded to twelve equivalent As(1) atoms to form CeAs12 cuboctahedra that share faces with eight equivalent Ru(1)As6 octahedra. Ru(1) is bonded to six equivalent As(1) atoms to form RuAs6 octahedra that share corners with six equivalent Ru(1)As6 octahedra and faces with two equivalent Ce(1)As12 cuboctahedra. The corner-sharing octahedral tilt angles are 59°. As(1) is bonded in a 5-coordinate geometry to one Ce(1), two equivalent Ru(1), and two equivalent As(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce(As3Ru)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.388
_cell_length_b   7.388
_cell_length_c   7.388
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   310.411
_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
  Ce  Ce0  1  0.000  0.000  0.000  1.0
  As  As1  1  0.851  0.651  0.502  1.0
  As  As2  1  0.149  0.349  0.498  1.0
  As  As3  1  0.149  0.651  0.801  1.0
  As  As4  1  0.851  0.349  0.199  1.0
  As  As5  1  0.651  0.502  0.851  1.0
  As  As6  1  0.349  0.498  0.149  1.0
  As  As7  1  0.651  0.801  0.149  1.0
  As  As8  1  0.349  0.199  0.851  1.0
  As  As9  1  0.502  0.851  0.651  1.0
  As  As10  1  0.498  0.149  0.349  1.0
  As  As11  1  0.801  0.149  0.651  1.0
  As  As12  1  0.199  0.851  0.349  1.0
  Ru  Ru13  1  0.500  0.500  0.500  1.0
  Ru  Ru14  1  0.500  0.000  0.000  1.0
  Ru  Ru15  1  0.000  0.500  0.000  1.0
  Ru  Ru16  1  0.000  0.000  0.500  1.0
[/CIF]
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