The compound described by Ga3Sn is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ga(2) and four equivalent Sn(1) atoms. In the second Ga site, Ga(2) is bonded to eight equivalent Ga(1) and four equivalent Sn(1) atoms to form GaGa8Sn4 cuboctahedra that share corners with four equivalent Ga(2)Ga8Sn4 cuboctahedra, corners with eight equivalent Sn(1)Ga12 cuboctahedra, edges with eight equivalent Ga(2)Ga8Sn4 cuboctahedra, faces with four equivalent Ga(2)Ga8Sn4 cuboctahedra, and faces with six equivalent Sn(1)Ga12 cuboctahedra. Sn(1) is bonded to four equivalent Ga(2) and eight equivalent Ga(1) atoms to form SnGa12 cuboctahedra that share corners with four equivalent Sn(1)Ga12 cuboctahedra, corners with eight equivalent Ga(2)Ga8Sn4 cuboctahedra, edges with eight equivalent Sn(1)Ga12 cuboctahedra, faces with four equivalent Sn(1)Ga12 cuboctahedra, and faces with six equivalent Ga(2)Ga8Sn4 cuboctahedra. is represented by the CIF card [CIF]
data_Ga3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.111
_cell_length_b   5.111
_cell_length_c   5.111
_cell_angle_alpha   127.053
_cell_angle_beta   127.053
_cell_angle_gamma   78.165
_symmetry_Int_Tables_number   1
_cell_volume   82.357
_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
  Ga  Ga0  1  0.750  0.250  0.500  1.0
  Ga  Ga1  1  0.250  0.750  0.500  1.0
  Ga  Ga2  1  0.500  0.500  0.000  1.0
  Sn  Sn3  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Ga3Sn is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ga(2) and four equivalent Sn(1) atoms. In the second Ga site, Ga(2) is bonded to eight equivalent Ga(1) and four equivalent Sn(1) atoms to form GaGa8Sn4 cuboctahedra that share corners with four equivalent Ga(2)Ga8Sn4 cuboctahedra, corners with eight equivalent Sn(1)Ga12 cuboctahedra, edges with eight equivalent Ga(2)Ga8Sn4 cuboctahedra, faces with four equivalent Ga(2)Ga8Sn4 cuboctahedra, and faces with six equivalent Sn(1)Ga12 cuboctahedra. Sn(1) is bonded to four equivalent Ga(2) and eight equivalent Ga(1) atoms to form SnGa12 cuboctahedra that share corners with four equivalent Sn(1)Ga12 cuboctahedra, corners with eight equivalent Ga(2)Ga8Sn4 cuboctahedra, edges with eight equivalent Sn(1)Ga12 cuboctahedra, faces with four equivalent Sn(1)Ga12 cuboctahedra, and faces with six equivalent Ga(2)Ga8Sn4 cuboctahedra. is represented by the CIF card [CIF]
data_Ga3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.111
_cell_length_b   5.111
_cell_length_c   5.111
_cell_angle_alpha   127.053
_cell_angle_beta   127.053
_cell_angle_gamma   78.165
_symmetry_Int_Tables_number   1
_cell_volume   82.357
_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
  Ga  Ga0  1  0.750  0.250  0.500  1.0
  Ga  Ga1  1  0.250  0.750  0.500  1.0
  Ga  Ga2  1  0.500  0.500  0.000  1.0
  Sn  Sn3  1  0.000  0.000  0.000  1.0
[/CIF]
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