The material structure described by ScCoAl crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 12-coordinate geometry to three equivalent Sc(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 Sc site, Sc(2) is bonded in a 16-coordinate geometry to one Sc(2), three equivalent Sc(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 Sc(2), four equivalent Sc(1), two equivalent Al(1), and four equivalent Al(2) atoms to form distorted CoSc6Al6 cuboctahedra that share corners with four equivalent Co(1)Sc6Al6 cuboctahedra, corners with four equivalent Al(1)Sc6Al2Co4 cuboctahedra, edges with two equivalent Co(1)Sc6Al6 cuboctahedra, faces with six equivalent Al(1)Sc6Al2Co4 cuboctahedra, and faces with eight equivalent Al(2)Sc6Al4Co2 cuboctahedra. In the second Co site, Co(2) is bonded in a 12-coordinate geometry to two equivalent Sc(1), four equivalent Sc(2), two equivalent Co(2), two equivalent Co(3), and two equivalent Al(1) atoms. In the third Co site, Co(3) is bonded in a 12-coordinate geometry to two equivalent Sc(1), four equivalent Sc(2), four equivalent Co(2), and two equivalent Al(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent Sc(1), three equivalent Sc(2), one Co(1), one Co(3), two equivalent Co(2), and two equivalent Al(2) atoms to form distorted AlSc6Al2Co4 cuboctahedra that share corners with two equivalent Co(1)Sc6Al6 cuboctahedra, corners with four equivalent Al(2)Sc6Al4Co2 cuboctahedra, edges with six equivalent Al(1)Sc6Al2Co4 cuboctahedra, faces with two equivalent Al(1)Sc6Al2Co4 cuboctahedra, faces with three equivalent Co(1)Sc6Al6 cuboctahedra, and faces with six equivalent Al(2)Sc6Al4Co2 cuboctahedra. In the second Al site, Al(2) is bonded to two equivalent Sc(2), four equivalent Sc(1), two equivalent Co(1), two equivalent Al(1), and two equivalent Al(2) atoms to form distorted AlSc6Al4Co2 cuboctahedra that share corners with four equivalent Al(1)Sc6Al2Co4 cuboctahedra, corners with four equivalent Al(2)Sc6Al4Co2 cuboctahedra, edges with two equivalent Al(2)Sc6Al4Co2 cuboctahedra, faces with four equivalent Co(1)Sc6Al6 cuboctahedra, faces with four equivalent Al(2)Sc6Al4Co2 cuboctahedra, and faces with six equivalent Al(1)Sc6Al2Co4 cuboctahedra. is represented by the CIF card [CIF]
data_ScAlCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.117
_cell_length_b   5.117
_cell_length_c   8.144
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.973
_symmetry_Int_Tables_number   1
_cell_volume   186.585
_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
  Sc  Sc0  1  0.667  0.333  0.295  1.0
  Sc  Sc1  1  0.329  0.671  0.173  1.0
  Sc  Sc2  1  0.329  0.671  0.827  1.0
  Sc  Sc3  1  0.667  0.333  0.705  1.0
  Al  Al4  1  0.006  0.994  0.231  1.0
  Al  Al5  1  0.006  0.994  0.769  1.0
  Al  Al6  1  0.657  0.834  0.500  1.0
  Al  Al7  1  0.166  0.343  0.500  1.0
  Co  Co8  1  0.166  0.834  0.500  1.0
  Co  Co9  1  0.358  0.177  0.000  1.0
  Co  Co10  1  0.823  0.642  0.000  1.0
  Co  Co11  1  0.826  0.174  0.000  1.0
[/CIF]
.
The material structure described by ScCoAl crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 12-coordinate geometry to three equivalent Sc(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 Sc site, Sc(2) is bonded in a 16-coordinate geometry to one Sc(2), three equivalent Sc(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 Sc(2), four equivalent Sc(1), two equivalent Al(1), and four equivalent Al(2) atoms to form distorted CoSc6Al6 cuboctahedra that share corners with four equivalent Co(1)Sc6Al6 cuboctahedra, corners with four equivalent Al(1)Sc6Al2Co4 cuboctahedra, edges with two equivalent Co(1)Sc6Al6 cuboctahedra, faces with six equivalent Al(1)Sc6Al2Co4 cuboctahedra, and faces with eight equivalent Al(2)Sc6Al4Co2 cuboctahedra. In the second Co site, Co(2) is bonded in a 12-coordinate geometry to two equivalent Sc(1), four equivalent Sc(2), two equivalent Co(2), two equivalent Co(3), and two equivalent Al(1) atoms. In the third Co site, Co(3) is bonded in a 12-coordinate geometry to two equivalent Sc(1), four equivalent Sc(2), four equivalent Co(2), and two equivalent Al(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent Sc(1), three equivalent Sc(2), one Co(1), one Co(3), two equivalent Co(2), and two equivalent Al(2) atoms to form distorted AlSc6Al2Co4 cuboctahedra that share corners with two equivalent Co(1)Sc6Al6 cuboctahedra, corners with four equivalent Al(2)Sc6Al4Co2 cuboctahedra, edges with six equivalent Al(1)Sc6Al2Co4 cuboctahedra, faces with two equivalent Al(1)Sc6Al2Co4 cuboctahedra, faces with three equivalent Co(1)Sc6Al6 cuboctahedra, and faces with six equivalent Al(2)Sc6Al4Co2 cuboctahedra. In the second Al site, Al(2) is bonded to two equivalent Sc(2), four equivalent Sc(1), two equivalent Co(1), two equivalent Al(1), and two equivalent Al(2) atoms to form distorted AlSc6Al4Co2 cuboctahedra that share corners with four equivalent Al(1)Sc6Al2Co4 cuboctahedra, corners with four equivalent Al(2)Sc6Al4Co2 cuboctahedra, edges with two equivalent Al(2)Sc6Al4Co2 cuboctahedra, faces with four equivalent Co(1)Sc6Al6 cuboctahedra, faces with four equivalent Al(2)Sc6Al4Co2 cuboctahedra, and faces with six equivalent Al(1)Sc6Al2Co4 cuboctahedra. is represented by the CIF card [CIF]
data_ScAlCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.117
_cell_length_b   5.117
_cell_length_c   8.144
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.973
_symmetry_Int_Tables_number   1
_cell_volume   186.585
_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
  Sc  Sc0  1  0.667  0.333  0.295  1.0
  Sc  Sc1  1  0.329  0.671  0.173  1.0
  Sc  Sc2  1  0.329  0.671  0.827  1.0
  Sc  Sc3  1  0.667  0.333  0.705  1.0
  Al  Al4  1  0.006  0.994  0.231  1.0
  Al  Al5  1  0.006  0.994  0.769  1.0
  Al  Al6  1  0.657  0.834  0.500  1.0
  Al  Al7  1  0.166  0.343  0.500  1.0
  Co  Co8  1  0.166  0.834  0.500  1.0
  Co  Co9  1  0.358  0.177  0.000  1.0
  Co  Co10  1  0.823  0.642  0.000  1.0
  Co  Co11  1  0.826  0.174  0.000  1.0
[/CIF]
.