The material structure described by Sc3Ga is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Sc(1) is bonded to eight equivalent Sc(1) and four equivalent Ga(1) atoms to form distorted ScSc8Ga4 cuboctahedra that share corners with four equivalent Ga(1)Sc12 cuboctahedra, corners with fourteen equivalent Sc(1)Sc8Ga4 cuboctahedra, edges with six equivalent Ga(1)Sc12 cuboctahedra, edges with twelve equivalent Sc(1)Sc8Ga4 cuboctahedra, faces with four equivalent Ga(1)Sc12 cuboctahedra, and faces with sixteen equivalent Sc(1)Sc8Ga4 cuboctahedra. Ga(1) is bonded to twelve equivalent Sc(1) atoms to form GaSc12 cuboctahedra that share corners with six equivalent Ga(1)Sc12 cuboctahedra, corners with twelve equivalent Sc(1)Sc8Ga4 cuboctahedra, edges with eighteen equivalent Sc(1)Sc8Ga4 cuboctahedra, faces with eight equivalent Ga(1)Sc12 cuboctahedra, and faces with twelve equivalent Sc(1)Sc8Ga4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc3Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.225
_cell_length_b   6.225
_cell_length_c   5.047
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   169.400
_cell_formula_units_Z   2
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  0.172  0.344  0.250  1.0
  Sc  Sc1  1  0.656  0.828  0.250  1.0
  Sc  Sc2  1  0.172  0.828  0.250  1.0
  Sc  Sc3  1  0.828  0.656  0.750  1.0
  Sc  Sc4  1  0.344  0.172  0.750  1.0
  Sc  Sc5  1  0.828  0.172  0.750  1.0
  Ga  Ga6  1  0.333  0.667  0.750  1.0
  Ga  Ga7  1  0.667  0.333  0.250  1.0
[/CIF]
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The material structure described by Sc3Ga is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Sc(1) is bonded to eight equivalent Sc(1) and four equivalent Ga(1) atoms to form distorted ScSc8Ga4 cuboctahedra that share corners with four equivalent Ga(1)Sc12 cuboctahedra, corners with fourteen equivalent Sc(1)Sc8Ga4 cuboctahedra, edges with six equivalent Ga(1)Sc12 cuboctahedra, edges with twelve equivalent Sc(1)Sc8Ga4 cuboctahedra, faces with four equivalent Ga(1)Sc12 cuboctahedra, and faces with sixteen equivalent Sc(1)Sc8Ga4 cuboctahedra. Ga(1) is bonded to twelve equivalent Sc(1) atoms to form GaSc12 cuboctahedra that share corners with six equivalent Ga(1)Sc12 cuboctahedra, corners with twelve equivalent Sc(1)Sc8Ga4 cuboctahedra, edges with eighteen equivalent Sc(1)Sc8Ga4 cuboctahedra, faces with eight equivalent Ga(1)Sc12 cuboctahedra, and faces with twelve equivalent Sc(1)Sc8Ga4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc3Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.225
_cell_length_b   6.225
_cell_length_c   5.047
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   169.400
_cell_formula_units_Z   2
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  0.172  0.344  0.250  1.0
  Sc  Sc1  1  0.656  0.828  0.250  1.0
  Sc  Sc2  1  0.172  0.828  0.250  1.0
  Sc  Sc3  1  0.828  0.656  0.750  1.0
  Sc  Sc4  1  0.344  0.172  0.750  1.0
  Sc  Sc5  1  0.828  0.172  0.750  1.0
  Ga  Ga6  1  0.333  0.667  0.750  1.0
  Ga  Ga7  1  0.667  0.333  0.250  1.0
[/CIF]
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