The material described by CeCo3 crystallizes in the trigonal R-3m space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 9-coordinate geometry to three equivalent Co(3) and nine equivalent Co(2) atoms. In the second Ce site, Ce(2) is bonded in a distorted hexagonal planar geometry to six equivalent Co(1) and twelve equivalent Co(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 12-coordinate geometry to three equivalent Ce(2), three equivalent Co(1), and six equivalent Co(2) atoms. In the second Co site, Co(2) is bonded to two equivalent Ce(2), three equivalent Ce(1), one Co(3), two equivalent Co(1), and four equivalent Co(2) atoms to form distorted CoCe5Co7 cuboctahedra that share corners with two equivalent Co(3)Ce6Co6 cuboctahedra, corners with fifteen equivalent Co(2)Ce5Co7 cuboctahedra, edges with eight equivalent Co(2)Ce5Co7 cuboctahedra, faces with three equivalent Co(3)Ce6Co6 cuboctahedra, and faces with eleven equivalent Co(2)Ce5Co7 cuboctahedra. In the third Co site, Co(3) is bonded to six equivalent Ce(1) and six equivalent Co(2) atoms to form CoCe6Co6 cuboctahedra that share corners with twelve equivalent Co(2)Ce5Co7 cuboctahedra, edges with six equivalent Co(3)Ce6Co6 cuboctahedra, and faces with eighteen equivalent Co(2)Ce5Co7 cuboctahedra. is represented by the CIF file [CIF]
data_CeCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.029
_cell_length_b   9.029
_cell_length_c   9.029
_cell_angle_alpha   31.070
_cell_angle_beta   31.070
_cell_angle_gamma   31.070
_symmetry_Int_Tables_number   1
_cell_volume   173.921
_cell_formula_units_Z   3
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  0.861  0.861  0.861  1.0
  Ce  Ce1  1  0.139  0.139  0.139  1.0
  Ce  Ce2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.331  0.331  0.331  1.0
  Co  Co4  1  0.422  0.422  0.917  1.0
  Co  Co5  1  0.578  0.578  0.083  1.0
  Co  Co6  1  0.669  0.669  0.669  1.0
  Co  Co7  1  0.578  0.083  0.578  1.0
  Co  Co8  1  0.917  0.422  0.422  1.0
  Co  Co9  1  0.422  0.917  0.422  1.0
  Co  Co10  1  0.500  0.500  0.500  1.0
  Co  Co11  1  0.083  0.578  0.578  1.0
[/CIF]
.
The material described by CeCo3 crystallizes in the trigonal R-3m space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 9-coordinate geometry to three equivalent Co(3) and nine equivalent Co(2) atoms. In the second Ce site, Ce(2) is bonded in a distorted hexagonal planar geometry to six equivalent Co(1) and twelve equivalent Co(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 12-coordinate geometry to three equivalent Ce(2), three equivalent Co(1), and six equivalent Co(2) atoms. In the second Co site, Co(2) is bonded to two equivalent Ce(2), three equivalent Ce(1), one Co(3), two equivalent Co(1), and four equivalent Co(2) atoms to form distorted CoCe5Co7 cuboctahedra that share corners with two equivalent Co(3)Ce6Co6 cuboctahedra, corners with fifteen equivalent Co(2)Ce5Co7 cuboctahedra, edges with eight equivalent Co(2)Ce5Co7 cuboctahedra, faces with three equivalent Co(3)Ce6Co6 cuboctahedra, and faces with eleven equivalent Co(2)Ce5Co7 cuboctahedra. In the third Co site, Co(3) is bonded to six equivalent Ce(1) and six equivalent Co(2) atoms to form CoCe6Co6 cuboctahedra that share corners with twelve equivalent Co(2)Ce5Co7 cuboctahedra, edges with six equivalent Co(3)Ce6Co6 cuboctahedra, and faces with eighteen equivalent Co(2)Ce5Co7 cuboctahedra. is represented by the CIF file [CIF]
data_CeCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.029
_cell_length_b   9.029
_cell_length_c   9.029
_cell_angle_alpha   31.070
_cell_angle_beta   31.070
_cell_angle_gamma   31.070
_symmetry_Int_Tables_number   1
_cell_volume   173.921
_cell_formula_units_Z   3
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  0.861  0.861  0.861  1.0
  Ce  Ce1  1  0.139  0.139  0.139  1.0
  Ce  Ce2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.331  0.331  0.331  1.0
  Co  Co4  1  0.422  0.422  0.917  1.0
  Co  Co5  1  0.578  0.578  0.083  1.0
  Co  Co6  1  0.669  0.669  0.669  1.0
  Co  Co7  1  0.578  0.083  0.578  1.0
  Co  Co8  1  0.917  0.422  0.422  1.0
  Co  Co9  1  0.422  0.917  0.422  1.0
  Co  Co10  1  0.500  0.500  0.500  1.0
  Co  Co11  1  0.083  0.578  0.578  1.0
[/CIF]
.