data_Ce(As3Ru)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44
_cell_length_b   7.44
_cell_length_c   7.44
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce(As3Ru)4
_chemical_formula_sum   'Ce1 As12 Ru4'
_cell_volume   316.72
_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  0.0  0.0  0.0  1.0
  As  As1  1  0.32  0.01  0.29  1.0
  As  As2  1  0.98  0.29  0.0  1.0
  As  As3  1  0.61  0.29  0.0  1.0
  As  As4  1  0.68  0.01  0.29  1.0
  As  As5  1  0.01  0.29  0.32  1.0
  As  As6  1  0.29  0.0  0.98  1.0
  As  As7  1  0.29  0.0  0.61  1.0
  As  As8  1  0.01  0.29  0.68  1.0
  As  As9  1  0.29  0.32  0.01  1.0
  As  As10  1  0.0  0.98  0.29  1.0
  As  As11  1  0.0  0.61  0.29  1.0
  As  As12  1  0.29  0.68  0.01  1.0
  Ru  Ru13  1  0.15  0.15  0.15  1.0
  Ru  Ru14  1  0.85  0.15  0.15  1.0
  Ru  Ru15  1  0.15  0.85  0.15  1.0
  Ru  Ru16  1  0.15  0.15  0.85  1.0

data_Ce(As3Ru)4
_symmetry_space_group_name_H-M   R3
_cell_length_a   12.15
_cell_length_b   12.15
_cell_length_c   7.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Ce(As3Ru)4
_chemical_formula_sum   'Ce3 As36 Ru12'
_cell_volume   950.16
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+2/3, y+1/3, z+1/3'
  5  '-y+2/3, x-y+1/3, z+1/3'
  6  '-x+y+2/3, -x+1/3, z+1/3'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
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  3  0.0  0.0  0.0  1.0
  As  As1  9  0.01  0.31  0.99  1.0
  As  As2  9  0.03  0.68  0.97  1.0
  As  As3  9  0.09  0.2  0.21  1.0
  As  As4  9  0.2  0.11  0.09  1.0
  Ru  Ru5  9  0.1  0.2  0.05  1.0
  Ru  Ru6  3  0.0  0.0  0.15  1.0

Ce As As As As As As As As As As As As Ru Ru Ru Ru
CeRu4As12 crystallizes in the trigonal R3 space group. Ce(1) is bonded in a single-bond geometry to one Ru(1) and three equivalent As(2) atoms. The Ce(1)-Ru(1) bond length is 1.09 Å. All Ce(1)-As(2) bond lengths are 2.20 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a single-bond geometry to one Ce(1) and three equivalent As(2) atoms. All Ru(1)-As(2) bond lengths are 2.14 Å. In the second Ru site, Ru(2) is bonded in a distorted single-bond geometry to one As(1), one As(3), one As(4), and two equivalent As(2) atoms. The Ru(2)-As(1) bond length is 1.17 Å. The Ru(2)-As(3) bond length is 2.51 Å. The Ru(2)-As(4) bond length is 2.16 Å. There is one shorter (1.99 Å) and one longer (2.21 Å) Ru(2)-As(2) bond length. There are four inequivalent As sites. In the first As site, As(1) is bonded in a single-bond geometry to one Ru(2), one As(3), one As(4), and two equivalent As(2) atoms. The As(1)-As(3) bond length is 2.43 Å. The As(1)-As(4) bond length is 2.75 Å. Both As(1)-As(2) bond lengths are 2.27 Å. In the second As site, As(2) is bonded in a 9-coordinate geometry to one Ce(1), one Ru(1), two equivalent Ru(2), one As(4), two equivalent As(1), and two equivalent As(3) atoms. The As(2)-As(4) bond length is 2.43 Å. There is one shorter (2.54 Å) and one longer (2.75 Å) As(2)-As(3) bond length. In the third As site, As(3) is bonded to one Ru(2), one As(1), two equivalent As(2), and two equivalent As(3) atoms to form distorted corner-sharing AsAs5Ru octahedra. The corner-sharing octahedral tilt angles range from 25-122°. Both As(3)-As(3) bond lengths are 2.56 Å. In the fourth As site, As(4) is bonded in a 5-coordinate geometry to one Ru(2), one As(1), one As(2), and two equivalent As(4) atoms. Both As(4)-As(4) bond lengths are 2.56 Å.