The material structure described by SmCoGa5 crystallizes in the tetragonal P4/mmm space group. Sm(1) is bonded to four equivalent Ga(1) and eight equivalent Ga(2) atoms to form a mixture of corner and face-sharing SmGa12 cuboctahedra. Co(1) is bonded in a body-centered cubic geometry to eight equivalent Ga(2) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted square co-planar geometry to four equivalent Sm(1) and eight equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded in a 11-coordinate geometry to two equivalent Sm(1), two equivalent Co(1), two equivalent Ga(1), and five equivalent Ga(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmGa5Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.210
_cell_length_b   4.210
_cell_length_c   6.856
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   121.508
_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
  Sm  Sm0  1  0.000  0.000  0.000  1.0
  Ga  Ga1  1  0.500  0.500  0.000  1.0
  Ga  Ga2  1  0.000  0.500  0.315  1.0
  Ga  Ga3  1  0.500  0.000  0.315  1.0
  Ga  Ga4  1  0.000  0.500  0.685  1.0
  Ga  Ga5  1  0.500  0.000  0.685  1.0
  Co  Co6  1  0.000  0.000  0.500  1.0
[/CIF]
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The material structure described by SmCoGa5 crystallizes in the tetragonal P4/mmm space group. Sm(1) is bonded to four equivalent Ga(1) and eight equivalent Ga(2) atoms to form a mixture of corner and face-sharing SmGa12 cuboctahedra. Co(1) is bonded in a body-centered cubic geometry to eight equivalent Ga(2) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted square co-planar geometry to four equivalent Sm(1) and eight equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded in a 11-coordinate geometry to two equivalent Sm(1), two equivalent Co(1), two equivalent Ga(1), and five equivalent Ga(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmGa5Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.210
_cell_length_b   4.210
_cell_length_c   6.856
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   121.508
_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
  Sm  Sm0  1  0.000  0.000  0.000  1.0
  Ga  Ga1  1  0.500  0.500  0.000  1.0
  Ga  Ga2  1  0.000  0.500  0.315  1.0
  Ga  Ga3  1  0.500  0.000  0.315  1.0
  Ga  Ga4  1  0.000  0.500  0.685  1.0
  Ga  Ga5  1  0.500  0.000  0.685  1.0
  Co  Co6  1  0.000  0.000  0.500  1.0
[/CIF]
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