The crystal structure described by CeCoAl crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 12-coordinate geometry to three equivalent Ce(2), one Co(3), two equivalent Co(1), two equivalent Co(2), three equivalent Al(1), and four equivalent Al(2) atoms. In the second Ce site, Ce(2) is bonded in a 16-coordinate geometry to one Ce(2), three equivalent Ce(1), one Co(1), two equivalent Co(3), four equivalent Co(2), two equivalent Al(2), and three equivalent Al(1) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent Ce(2), four equivalent Ce(1), two equivalent Al(1), and four equivalent Al(2) atoms to form CoCe6Al6 cuboctahedra that share corners with two equivalent Co(3)Ce6Al2Co4 cuboctahedra, corners with four equivalent Co(1)Ce6Al6 cuboctahedra, corners with four equivalent Al(1)Ce6Al2Co4 cuboctahedra, corners with eight equivalent Co(2)Ce6Al2Co4 cuboctahedra, edges with two equivalent Co(1)Ce6Al6 cuboctahedra, edges with four equivalent Co(3)Ce6Al2Co4 cuboctahedra, faces with four equivalent Co(2)Ce6Al2Co4 cuboctahedra, faces with six equivalent Al(1)Ce6Al2Co4 cuboctahedra, and faces with eight equivalent Al(2)Ce6Al4Co2 cuboctahedra. In the second Co site, Co(2) is bonded to two equivalent Ce(1), four equivalent Ce(2), two equivalent Co(2), two equivalent Co(3), and two equivalent Al(1) atoms to form distorted CoCe6Al2Co4 cuboctahedra that share corners with four equivalent Co(2)Ce6Al2Co4 cuboctahedra, corners with four equivalent Co(1)Ce6Al6 cuboctahedra, corners with four equivalent Al(1)Ce6Al2Co4 cuboctahedra, corners with six equivalent Al(2)Ce6Al4Co2 cuboctahedra, edges with two equivalent Co(2)Ce6Al2Co4 cuboctahedra, edges with four equivalent Al(2)Ce6Al4Co2 cuboctahedra, faces with two equivalent Co(1)Ce6Al6 cuboctahedra, faces with two equivalent Al(2)Ce6Al4Co2 cuboctahedra, faces with four equivalent Co(2)Ce6Al2Co4 cuboctahedra, faces with four equivalent Co(3)Ce6Al2Co4 cuboctahedra, and faces with six equivalent Al(1)Ce6Al2Co4 cuboctahedra. In the third Co site, Co(3) is bonded to two equivalent Ce(1), four equivalent Ce(2), four equivalent Co(2), and two equivalent Al(1) atoms to form distorted CoCe6Al2Co4 cuboctahedra that share corners with two equivalent Co(1)Ce6Al6 cuboctahedra, corners with four equivalent Co(3)Ce6Al2Co4 cuboctahedra, corners with four equivalent Al(1)Ce6Al2Co4 cuboctahedra, corners with eight equivalent Al(2)Ce6Al4Co2 cuboctahedra, edges with two equivalent Co(3)Ce6Al2Co4 cuboctahedra, edges with four equivalent Co(1)Ce6Al6 cuboctahedra, faces with four equivalent Al(2)Ce6Al4Co2 cuboctahedra, faces with six equivalent Al(1)Ce6Al2Co4 cuboctahedra, and faces with eight equivalent Co(2)Ce6Al2Co4 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent Ce(1), three equivalent Ce(2), one Co(1), one Co(3), two equivalent Co(2), and two equivalent Al(2) atoms to form distorted AlCe6Al2Co4 cuboctahedra that share corners with two equivalent Co(3)Ce6Al2Co4 cuboctahedra, corners with two equivalent Co(1)Ce6Al6 cuboctahedra, corners with four equivalent Co(2)Ce6Al2Co4 cuboctahedra, corners with four equivalent Al(2)Ce6Al4Co2 cuboctahedra, edges with six equivalent Al(1)Ce6Al2Co4 cuboctahedra, faces with two equivalent Al(1)Ce6Al2Co4 cuboctahedra, faces with three equivalent Co(3)Ce6Al2Co4 cuboctahedra, faces with three equivalent Co(1)Ce6Al6 cuboctahedra, faces with six equivalent Co(2)Ce6Al2Co4 cuboctahedra, and faces with six equivalent Al(2)Ce6Al4Co2 cuboctahedra. In the second Al site, Al(2) is bonded to two equivalent Ce(2), four equivalent Ce(1), two equivalent Co(1), two equivalent Al(1), and two equivalent Al(2) atoms to form distorted AlCe6Al4Co2 cuboctahedra that share corners with four equivalent Co(3)Ce6Al2Co4 cuboctahedra, corners with four equivalent Al(1)Ce6Al2Co4 cuboctahedra, corners with four equivalent Al(2)Ce6Al4Co2 cuboctahedra, corners with six equivalent Co(2)Ce6Al2Co4 cuboctahedra, edges with two equivalent Al(2)Ce6Al4Co2 cuboctahedra, edges with four equivalent Co(2)Ce6Al2Co4 cuboctahedra, faces with two equivalent Co(2)Ce6Al2Co4 cuboctahedra, faces with two equivalent Co(3)Ce6Al2Co4 cuboctahedra, faces with four equivalent Co(1)Ce6Al6 cuboctahedra, faces with four equivalent Al(2)Ce6Al4Co2 cuboctahedra, and faces with six equivalent Al(1)Ce6Al2Co4 cuboctahedra. is represented by the CIF file [CIF]
data_CeAlCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.367
_cell_length_b   5.367
_cell_length_c   8.305
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.612
_symmetry_Int_Tables_number   1
_cell_volume   208.010
_cell_formula_units_Z   4
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  0.666  0.334  0.284  1.0
  Ce  Ce1  1  0.329  0.671  0.168  1.0
  Ce  Ce2  1  0.329  0.671  0.832  1.0
  Ce  Ce3  1  0.666  0.334  0.716  1.0
  Al  Al4  1  0.004  0.996  0.237  1.0
  Al  Al5  1  0.004  0.996  0.763  1.0
  Al  Al6  1  0.661  0.833  0.500  1.0
  Al  Al7  1  0.167  0.339  0.500  1.0
  Co  Co8  1  0.167  0.833  0.500  1.0
  Co  Co9  1  0.337  0.166  0.000  1.0
  Co  Co10  1  0.834  0.663  0.000  1.0
  Co  Co11  1  0.837  0.163  0.000  1.0
[/CIF]
.
The crystal structure described by CeCoAl crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 12-coordinate geometry to three equivalent Ce(2), one Co(3), two equivalent Co(1), two equivalent Co(2), three equivalent Al(1), and four equivalent Al(2) atoms. In the second Ce site, Ce(2) is bonded in a 16-coordinate geometry to one Ce(2), three equivalent Ce(1), one Co(1), two equivalent Co(3), four equivalent Co(2), two equivalent Al(2), and three equivalent Al(1) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent Ce(2), four equivalent Ce(1), two equivalent Al(1), and four equivalent Al(2) atoms to form CoCe6Al6 cuboctahedra that share corners with two equivalent Co(3)Ce6Al2Co4 cuboctahedra, corners with four equivalent Co(1)Ce6Al6 cuboctahedra, corners with four equivalent Al(1)Ce6Al2Co4 cuboctahedra, corners with eight equivalent Co(2)Ce6Al2Co4 cuboctahedra, edges with two equivalent Co(1)Ce6Al6 cuboctahedra, edges with four equivalent Co(3)Ce6Al2Co4 cuboctahedra, faces with four equivalent Co(2)Ce6Al2Co4 cuboctahedra, faces with six equivalent Al(1)Ce6Al2Co4 cuboctahedra, and faces with eight equivalent Al(2)Ce6Al4Co2 cuboctahedra. In the second Co site, Co(2) is bonded to two equivalent Ce(1), four equivalent Ce(2), two equivalent Co(2), two equivalent Co(3), and two equivalent Al(1) atoms to form distorted CoCe6Al2Co4 cuboctahedra that share corners with four equivalent Co(2)Ce6Al2Co4 cuboctahedra, corners with four equivalent Co(1)Ce6Al6 cuboctahedra, corners with four equivalent Al(1)Ce6Al2Co4 cuboctahedra, corners with six equivalent Al(2)Ce6Al4Co2 cuboctahedra, edges with two equivalent Co(2)Ce6Al2Co4 cuboctahedra, edges with four equivalent Al(2)Ce6Al4Co2 cuboctahedra, faces with two equivalent Co(1)Ce6Al6 cuboctahedra, faces with two equivalent Al(2)Ce6Al4Co2 cuboctahedra, faces with four equivalent Co(2)Ce6Al2Co4 cuboctahedra, faces with four equivalent Co(3)Ce6Al2Co4 cuboctahedra, and faces with six equivalent Al(1)Ce6Al2Co4 cuboctahedra. In the third Co site, Co(3) is bonded to two equivalent Ce(1), four equivalent Ce(2), four equivalent Co(2), and two equivalent Al(1) atoms to form distorted CoCe6Al2Co4 cuboctahedra that share corners with two equivalent Co(1)Ce6Al6 cuboctahedra, corners with four equivalent Co(3)Ce6Al2Co4 cuboctahedra, corners with four equivalent Al(1)Ce6Al2Co4 cuboctahedra, corners with eight equivalent Al(2)Ce6Al4Co2 cuboctahedra, edges with two equivalent Co(3)Ce6Al2Co4 cuboctahedra, edges with four equivalent Co(1)Ce6Al6 cuboctahedra, faces with four equivalent Al(2)Ce6Al4Co2 cuboctahedra, faces with six equivalent Al(1)Ce6Al2Co4 cuboctahedra, and faces with eight equivalent Co(2)Ce6Al2Co4 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent Ce(1), three equivalent Ce(2), one Co(1), one Co(3), two equivalent Co(2), and two equivalent Al(2) atoms to form distorted AlCe6Al2Co4 cuboctahedra that share corners with two equivalent Co(3)Ce6Al2Co4 cuboctahedra, corners with two equivalent Co(1)Ce6Al6 cuboctahedra, corners with four equivalent Co(2)Ce6Al2Co4 cuboctahedra, corners with four equivalent Al(2)Ce6Al4Co2 cuboctahedra, edges with six equivalent Al(1)Ce6Al2Co4 cuboctahedra, faces with two equivalent Al(1)Ce6Al2Co4 cuboctahedra, faces with three equivalent Co(3)Ce6Al2Co4 cuboctahedra, faces with three equivalent Co(1)Ce6Al6 cuboctahedra, faces with six equivalent Co(2)Ce6Al2Co4 cuboctahedra, and faces with six equivalent Al(2)Ce6Al4Co2 cuboctahedra. In the second Al site, Al(2) is bonded to two equivalent Ce(2), four equivalent Ce(1), two equivalent Co(1), two equivalent Al(1), and two equivalent Al(2) atoms to form distorted AlCe6Al4Co2 cuboctahedra that share corners with four equivalent Co(3)Ce6Al2Co4 cuboctahedra, corners with four equivalent Al(1)Ce6Al2Co4 cuboctahedra, corners with four equivalent Al(2)Ce6Al4Co2 cuboctahedra, corners with six equivalent Co(2)Ce6Al2Co4 cuboctahedra, edges with two equivalent Al(2)Ce6Al4Co2 cuboctahedra, edges with four equivalent Co(2)Ce6Al2Co4 cuboctahedra, faces with two equivalent Co(2)Ce6Al2Co4 cuboctahedra, faces with two equivalent Co(3)Ce6Al2Co4 cuboctahedra, faces with four equivalent Co(1)Ce6Al6 cuboctahedra, faces with four equivalent Al(2)Ce6Al4Co2 cuboctahedra, and faces with six equivalent Al(1)Ce6Al2Co4 cuboctahedra. is represented by the CIF file [CIF]
data_CeAlCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.367
_cell_length_b   5.367
_cell_length_c   8.305
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.612
_symmetry_Int_Tables_number   1
_cell_volume   208.010
_cell_formula_units_Z   4
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  0.666  0.334  0.284  1.0
  Ce  Ce1  1  0.329  0.671  0.168  1.0
  Ce  Ce2  1  0.329  0.671  0.832  1.0
  Ce  Ce3  1  0.666  0.334  0.716  1.0
  Al  Al4  1  0.004  0.996  0.237  1.0
  Al  Al5  1  0.004  0.996  0.763  1.0
  Al  Al6  1  0.661  0.833  0.500  1.0
  Al  Al7  1  0.167  0.339  0.500  1.0
  Co  Co8  1  0.167  0.833  0.500  1.0
  Co  Co9  1  0.337  0.166  0.000  1.0
  Co  Co10  1  0.834  0.663  0.000  1.0
  Co  Co11  1  0.837  0.163  0.000  1.0
[/CIF]
.