The crystal structure described by SmGaSb2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Sm(1) is bonded to two equivalent Sb(2) and four equivalent Sb(1) atoms to form SmSb6 octahedra that share corners with six equivalent Sm(1)Sb6 octahedra, edges with four equivalent Sm(1)Sb6 octahedra, and edges with eight equivalent Ga(1)Sb6 octahedra. The corner-sharing octahedra are not tilted. Ga(1) is bonded to two equivalent Sb(1) and four equivalent Sb(2) atoms to form GaSb6 octahedra that share corners with six equivalent Ga(1)Sb6 octahedra, edges with four equivalent Ga(1)Sb6 octahedra, and edges with eight equivalent Sm(1)Sb6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to four equivalent Sm(1) and two equivalent Ga(1) atoms to form SbSm4Ga2 octahedra that share corners with six equivalent Sb(1)Sm4Ga2 octahedra, edges with four equivalent Sb(1)Sm4Ga2 octahedra, and edges with eight equivalent Sb(2)Sm2Ga4 octahedra. The corner-sharing octahedra are not tilted. In the second Sb site, Sb(2) is bonded to two equivalent Sm(1) and four equivalent Ga(1) atoms to form SbSm2Ga4 octahedra that share corners with six equivalent Sb(2)Sm2Ga4 octahedra, edges with four equivalent Sb(2)Sm2Ga4 octahedra, and edges with eight equivalent Sb(1)Sm4Ga2 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmGaSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.343
_cell_length_b   4.343
_cell_length_c   6.304
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   118.895
_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  0.500  0.500  0.500  1.0
  Ga  Ga1  1  0.000  0.000  0.000  1.0
  Sb  Sb2  1  0.000  0.000  0.500  1.0
  Sb  Sb3  1  0.500  0.500  0.000  1.0
[/CIF]
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The crystal structure described by SmGaSb2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Sm(1) is bonded to two equivalent Sb(2) and four equivalent Sb(1) atoms to form SmSb6 octahedra that share corners with six equivalent Sm(1)Sb6 octahedra, edges with four equivalent Sm(1)Sb6 octahedra, and edges with eight equivalent Ga(1)Sb6 octahedra. The corner-sharing octahedra are not tilted. Ga(1) is bonded to two equivalent Sb(1) and four equivalent Sb(2) atoms to form GaSb6 octahedra that share corners with six equivalent Ga(1)Sb6 octahedra, edges with four equivalent Ga(1)Sb6 octahedra, and edges with eight equivalent Sm(1)Sb6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to four equivalent Sm(1) and two equivalent Ga(1) atoms to form SbSm4Ga2 octahedra that share corners with six equivalent Sb(1)Sm4Ga2 octahedra, edges with four equivalent Sb(1)Sm4Ga2 octahedra, and edges with eight equivalent Sb(2)Sm2Ga4 octahedra. The corner-sharing octahedra are not tilted. In the second Sb site, Sb(2) is bonded to two equivalent Sm(1) and four equivalent Ga(1) atoms to form SbSm2Ga4 octahedra that share corners with six equivalent Sb(2)Sm2Ga4 octahedra, edges with four equivalent Sb(2)Sm2Ga4 octahedra, and edges with eight equivalent Sb(1)Sm4Ga2 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmGaSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.343
_cell_length_b   4.343
_cell_length_c   6.304
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   118.895
_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  0.500  0.500  0.500  1.0
  Ga  Ga1  1  0.000  0.000  0.000  1.0
  Sb  Sb2  1  0.000  0.000  0.500  1.0
  Sb  Sb3  1  0.500  0.500  0.000  1.0
[/CIF]
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