The crystal structure described by Sn3Ge is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to four equivalent Sn(1), four equivalent Sn(2), and four equivalent Ge(1) atoms to form distorted SnSn8Ge4 cuboctahedra that share corners with twelve equivalent Sn(1)Sn8Ge4 cuboctahedra, edges with eight equivalent Sn(1)Sn8Ge4 cuboctahedra, edges with eight equivalent Sn(2)Sn8Ge4 cuboctahedra, edges with eight equivalent Ge(1)Sn12 cuboctahedra, faces with four equivalent Sn(2)Sn8Ge4 cuboctahedra, faces with four equivalent Ge(1)Sn12 cuboctahedra, and faces with ten equivalent Sn(1)Sn8Ge4 cuboctahedra. In the second Sn site, Sn(2) is bonded to eight equivalent Sn(1) and four equivalent Ge(1) atoms to form SnSn8Ge4 cuboctahedra that share corners with four equivalent Sn(2)Sn8Ge4 cuboctahedra, corners with eight equivalent Ge(1)Sn12 cuboctahedra, edges with eight equivalent Sn(2)Sn8Ge4 cuboctahedra, edges with sixteen equivalent Sn(1)Sn8Ge4 cuboctahedra, faces with four equivalent Sn(2)Sn8Ge4 cuboctahedra, faces with six equivalent Ge(1)Sn12 cuboctahedra, and faces with eight equivalent Sn(1)Sn8Ge4 cuboctahedra. Ge(1) is bonded to four equivalent Sn(2) and eight equivalent Sn(1) atoms to form distorted GeSn12 cuboctahedra that share corners with four equivalent Ge(1)Sn12 cuboctahedra, corners with eight equivalent Sn(2)Sn8Ge4 cuboctahedra, edges with eight equivalent Ge(1)Sn12 cuboctahedra, edges with sixteen equivalent Sn(1)Sn8Ge4 cuboctahedra, faces with four equivalent Ge(1)Sn12 cuboctahedra, faces with six equivalent Sn(2)Sn8Ge4 cuboctahedra, and faces with eight equivalent Sn(1)Sn8Ge4 cuboctahedra. is represented by the CIF file [CIF]
data_Sn3Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.868
_cell_length_b   5.868
_cell_length_c   5.868
_cell_angle_alpha   133.830
_cell_angle_beta   133.830
_cell_angle_gamma   67.353
_symmetry_Int_Tables_number   1
_cell_volume   103.412
_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
  Sn  Sn0  1  0.750  0.250  0.500  1.0
  Sn  Sn1  1  0.250  0.750  0.500  1.0
  Sn  Sn2  1  0.500  0.500  0.000  1.0
  Ge  Ge3  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Sn3Ge is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to four equivalent Sn(1), four equivalent Sn(2), and four equivalent Ge(1) atoms to form distorted SnSn8Ge4 cuboctahedra that share corners with twelve equivalent Sn(1)Sn8Ge4 cuboctahedra, edges with eight equivalent Sn(1)Sn8Ge4 cuboctahedra, edges with eight equivalent Sn(2)Sn8Ge4 cuboctahedra, edges with eight equivalent Ge(1)Sn12 cuboctahedra, faces with four equivalent Sn(2)Sn8Ge4 cuboctahedra, faces with four equivalent Ge(1)Sn12 cuboctahedra, and faces with ten equivalent Sn(1)Sn8Ge4 cuboctahedra. In the second Sn site, Sn(2) is bonded to eight equivalent Sn(1) and four equivalent Ge(1) atoms to form SnSn8Ge4 cuboctahedra that share corners with four equivalent Sn(2)Sn8Ge4 cuboctahedra, corners with eight equivalent Ge(1)Sn12 cuboctahedra, edges with eight equivalent Sn(2)Sn8Ge4 cuboctahedra, edges with sixteen equivalent Sn(1)Sn8Ge4 cuboctahedra, faces with four equivalent Sn(2)Sn8Ge4 cuboctahedra, faces with six equivalent Ge(1)Sn12 cuboctahedra, and faces with eight equivalent Sn(1)Sn8Ge4 cuboctahedra. Ge(1) is bonded to four equivalent Sn(2) and eight equivalent Sn(1) atoms to form distorted GeSn12 cuboctahedra that share corners with four equivalent Ge(1)Sn12 cuboctahedra, corners with eight equivalent Sn(2)Sn8Ge4 cuboctahedra, edges with eight equivalent Ge(1)Sn12 cuboctahedra, edges with sixteen equivalent Sn(1)Sn8Ge4 cuboctahedra, faces with four equivalent Ge(1)Sn12 cuboctahedra, faces with six equivalent Sn(2)Sn8Ge4 cuboctahedra, and faces with eight equivalent Sn(1)Sn8Ge4 cuboctahedra. is represented by the CIF file [CIF]
data_Sn3Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.868
_cell_length_b   5.868
_cell_length_c   5.868
_cell_angle_alpha   133.830
_cell_angle_beta   133.830
_cell_angle_gamma   67.353
_symmetry_Int_Tables_number   1
_cell_volume   103.412
_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
  Sn  Sn0  1  0.750  0.250  0.500  1.0
  Sn  Sn1  1  0.250  0.750  0.500  1.0
  Sn  Sn2  1  0.500  0.500  0.000  1.0
  Ge  Ge3  1  0.000  0.000  0.000  1.0
[/CIF]
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