The crystal structure described by Sc2CoGa8 crystallizes in the tetragonal P4/mmm space group. Sc(1) is bonded to four equivalent Ga(1), four equivalent Ga(2), and four equivalent Ga(3) atoms to form ScGa12 cuboctahedra that share corners with eight equivalent Sc(1)Ga12 cuboctahedra, edges with four equivalent Ga(2)Sc4Ga8 cuboctahedra, edges with eight equivalent Ga(3)Sc4Ga8 cuboctahedra, faces with four equivalent Ga(2)Sc4Ga8 cuboctahedra, faces with four equivalent Ga(3)Sc4Ga8 cuboctahedra, and faces with five equivalent Sc(1)Ga12 cuboctahedra. Co(1) is bonded in a body-centered cubic geometry to eight equivalent Ga(1) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 11-coordinate geometry to two equivalent Sc(1), two equivalent Co(1), two equivalent Ga(2), and five equivalent Ga(1) atoms. In the second Ga site, Ga(2) is bonded to four equivalent Sc(1), four equivalent Ga(1), and four equivalent Ga(3) atoms to form distorted GaSc4Ga8 cuboctahedra that share corners with eight equivalent Ga(2)Sc4Ga8 cuboctahedra, edges with four equivalent Sc(1)Ga12 cuboctahedra, edges with eight equivalent Ga(3)Sc4Ga8 cuboctahedra, faces with four equivalent Sc(1)Ga12 cuboctahedra, faces with four equivalent Ga(3)Sc4Ga8 cuboctahedra, and faces with five equivalent Ga(2)Sc4Ga8 cuboctahedra. In the third Ga site, Ga(3) is bonded to four equivalent Sc(1), four equivalent Ga(2), and four equivalent Ga(3) atoms to form distorted GaSc4Ga8 cuboctahedra that share corners with four equivalent Ga(3)Sc4Ga8 cuboctahedra, edges with eight equivalent Sc(1)Ga12 cuboctahedra, edges with eight equivalent Ga(2)Sc4Ga8 cuboctahedra, faces with four equivalent Sc(1)Ga12 cuboctahedra, faces with four equivalent Ga(2)Sc4Ga8 cuboctahedra, and faces with eight equivalent Ga(3)Sc4Ga8 cuboctahedra. is represented by the CIF card [CIF]
data_Sc2Ga8Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.084
_cell_length_b   4.084
_cell_length_c   10.681
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   178.112
_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
  Sc  Sc0  1  0.000  0.000  0.309  1.0
  Sc  Sc1  1  0.000  0.000  0.691  1.0
  Ga  Ga2  1  0.000  0.500  0.121  1.0
  Ga  Ga3  1  0.000  0.500  0.879  1.0
  Ga  Ga4  1  0.500  0.000  0.121  1.0
  Ga  Ga5  1  0.500  0.000  0.879  1.0
  Ga  Ga6  1  0.500  0.500  0.306  1.0
  Ga  Ga7  1  0.500  0.500  0.694  1.0
  Ga  Ga8  1  0.000  0.500  0.500  1.0
  Ga  Ga9  1  0.500  0.000  0.500  1.0
  Co  Co10  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Sc2CoGa8 crystallizes in the tetragonal P4/mmm space group. Sc(1) is bonded to four equivalent Ga(1), four equivalent Ga(2), and four equivalent Ga(3) atoms to form ScGa12 cuboctahedra that share corners with eight equivalent Sc(1)Ga12 cuboctahedra, edges with four equivalent Ga(2)Sc4Ga8 cuboctahedra, edges with eight equivalent Ga(3)Sc4Ga8 cuboctahedra, faces with four equivalent Ga(2)Sc4Ga8 cuboctahedra, faces with four equivalent Ga(3)Sc4Ga8 cuboctahedra, and faces with five equivalent Sc(1)Ga12 cuboctahedra. Co(1) is bonded in a body-centered cubic geometry to eight equivalent Ga(1) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 11-coordinate geometry to two equivalent Sc(1), two equivalent Co(1), two equivalent Ga(2), and five equivalent Ga(1) atoms. In the second Ga site, Ga(2) is bonded to four equivalent Sc(1), four equivalent Ga(1), and four equivalent Ga(3) atoms to form distorted GaSc4Ga8 cuboctahedra that share corners with eight equivalent Ga(2)Sc4Ga8 cuboctahedra, edges with four equivalent Sc(1)Ga12 cuboctahedra, edges with eight equivalent Ga(3)Sc4Ga8 cuboctahedra, faces with four equivalent Sc(1)Ga12 cuboctahedra, faces with four equivalent Ga(3)Sc4Ga8 cuboctahedra, and faces with five equivalent Ga(2)Sc4Ga8 cuboctahedra. In the third Ga site, Ga(3) is bonded to four equivalent Sc(1), four equivalent Ga(2), and four equivalent Ga(3) atoms to form distorted GaSc4Ga8 cuboctahedra that share corners with four equivalent Ga(3)Sc4Ga8 cuboctahedra, edges with eight equivalent Sc(1)Ga12 cuboctahedra, edges with eight equivalent Ga(2)Sc4Ga8 cuboctahedra, faces with four equivalent Sc(1)Ga12 cuboctahedra, faces with four equivalent Ga(2)Sc4Ga8 cuboctahedra, and faces with eight equivalent Ga(3)Sc4Ga8 cuboctahedra. is represented by the CIF card [CIF]
data_Sc2Ga8Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.084
_cell_length_b   4.084
_cell_length_c   10.681
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   178.112
_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
  Sc  Sc0  1  0.000  0.000  0.309  1.0
  Sc  Sc1  1  0.000  0.000  0.691  1.0
  Ga  Ga2  1  0.000  0.500  0.121  1.0
  Ga  Ga3  1  0.000  0.500  0.879  1.0
  Ga  Ga4  1  0.500  0.000  0.121  1.0
  Ga  Ga5  1  0.500  0.000  0.879  1.0
  Ga  Ga6  1  0.500  0.500  0.306  1.0
  Ga  Ga7  1  0.500  0.500  0.694  1.0
  Ga  Ga8  1  0.000  0.500  0.500  1.0
  Ga  Ga9  1  0.500  0.000  0.500  1.0
  Co  Co10  1  0.000  0.000  0.000  1.0
[/CIF]
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