The material structure described by Cr3Ru3C2 is H-Phase-like structured and crystallizes in the trigonal P-3m1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 3-coordinate geometry to three equivalent Ru(1) and three equivalent C(1) atoms. In the second Cr site, Cr(2) is bonded to six equivalent C(1) atoms to form edge-sharing CrC6 octahedra. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to three equivalent Cr(1) and three equivalent Ru(2) atoms to form distorted RuCr3Ru3 cuboctahedra that share corners with three equivalent Ru(1)Cr3Ru3 cuboctahedra, corners with six equivalent Ru(2)Ru12 cuboctahedra, corners with six equivalent C(1)Cr6 octahedra, edges with six equivalent Ru(2)Ru12 cuboctahedra, edges with nine equivalent Ru(1)Cr3Ru3 cuboctahedra, and  a faceface with one C(1)Cr6 octahedra. The corner-sharing octahedral tilt angles are 46°. In the second Ru site, Ru(2) is bonded to six equivalent Ru(1) and six equivalent Ru(2) atoms to form RuRu12 cuboctahedra that share corners with six equivalent Ru(2)Ru12 cuboctahedra, corners with twelve equivalent Ru(1)Cr3Ru3 cuboctahedra, edges with six equivalent Ru(2)Ru12 cuboctahedra, edges with twelve equivalent Ru(1)Cr3Ru3 cuboctahedra, and faces with six equivalent Ru(2)Ru12 cuboctahedra. C(1) is bonded to three equivalent Cr(1) and three equivalent Cr(2) atoms to form CCr6 octahedra that share corners with six equivalent Ru(1)Cr3Ru3 cuboctahedra, corners with three equivalent C(1)Cr6 octahedra, edges with nine equivalent C(1)Cr6 octahedra, and  a faceface with one Ru(1)Cr3Ru3 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Cr3Ru3C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.775
_cell_length_b   2.775
_cell_length_c   13.258
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   88.420
_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
  Cr  Cr0  1  0.667  0.333  0.174  1.0
  Cr  Cr1  1  0.000  0.000  0.000  1.0
  Cr  Cr2  1  0.333  0.667  0.826  1.0
  Ru  Ru3  1  0.667  0.333  0.666  1.0
  Ru  Ru4  1  0.000  0.000  0.500  1.0
  Ru  Ru5  1  0.333  0.667  0.334  1.0
  C  C6  1  0.333  0.667  0.094  1.0
  C  C7  1  0.667  0.333  0.906  1.0
[/CIF]
.
The material structure described by Cr3Ru3C2 is H-Phase-like structured and crystallizes in the trigonal P-3m1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 3-coordinate geometry to three equivalent Ru(1) and three equivalent C(1) atoms. In the second Cr site, Cr(2) is bonded to six equivalent C(1) atoms to form edge-sharing CrC6 octahedra. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to three equivalent Cr(1) and three equivalent Ru(2) atoms to form distorted RuCr3Ru3 cuboctahedra that share corners with three equivalent Ru(1)Cr3Ru3 cuboctahedra, corners with six equivalent Ru(2)Ru12 cuboctahedra, corners with six equivalent C(1)Cr6 octahedra, edges with six equivalent Ru(2)Ru12 cuboctahedra, edges with nine equivalent Ru(1)Cr3Ru3 cuboctahedra, and  a faceface with one C(1)Cr6 octahedra. The corner-sharing octahedral tilt angles are 46°. In the second Ru site, Ru(2) is bonded to six equivalent Ru(1) and six equivalent Ru(2) atoms to form RuRu12 cuboctahedra that share corners with six equivalent Ru(2)Ru12 cuboctahedra, corners with twelve equivalent Ru(1)Cr3Ru3 cuboctahedra, edges with six equivalent Ru(2)Ru12 cuboctahedra, edges with twelve equivalent Ru(1)Cr3Ru3 cuboctahedra, and faces with six equivalent Ru(2)Ru12 cuboctahedra. C(1) is bonded to three equivalent Cr(1) and three equivalent Cr(2) atoms to form CCr6 octahedra that share corners with six equivalent Ru(1)Cr3Ru3 cuboctahedra, corners with three equivalent C(1)Cr6 octahedra, edges with nine equivalent C(1)Cr6 octahedra, and  a faceface with one Ru(1)Cr3Ru3 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Cr3Ru3C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.775
_cell_length_b   2.775
_cell_length_c   13.258
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   88.420
_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
  Cr  Cr0  1  0.667  0.333  0.174  1.0
  Cr  Cr1  1  0.000  0.000  0.000  1.0
  Cr  Cr2  1  0.333  0.667  0.826  1.0
  Ru  Ru3  1  0.667  0.333  0.666  1.0
  Ru  Ru4  1  0.000  0.000  0.500  1.0
  Ru  Ru5  1  0.333  0.667  0.334  1.0
  C  C6  1  0.333  0.667  0.094  1.0
  C  C7  1  0.667  0.333  0.906  1.0
[/CIF]
.