The compound described by Sn1Ge3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Sn(1) is bonded to four equivalent Ge(2) and eight equivalent Ge(1) atoms to form SnGe12 cuboctahedra that share corners with four equivalent Sn(1)Ge12 cuboctahedra, corners with eight equivalent Ge(2)Sn4Ge8 cuboctahedra, edges with eight equivalent Sn(1)Ge12 cuboctahedra, edges with sixteen equivalent Ge(1)Sn4Ge8 cuboctahedra, faces with four equivalent Sn(1)Ge12 cuboctahedra, faces with six equivalent Ge(2)Sn4Ge8 cuboctahedra, and faces with eight equivalent Ge(1)Sn4Ge8 cuboctahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to four equivalent Sn(1), four equivalent Ge(1), and four equivalent Ge(2) atoms to form distorted GeSn4Ge8 cuboctahedra that share corners with twelve equivalent Ge(1)Sn4Ge8 cuboctahedra, edges with eight equivalent Sn(1)Ge12 cuboctahedra, edges with eight equivalent Ge(1)Sn4Ge8 cuboctahedra, edges with eight equivalent Ge(2)Sn4Ge8 cuboctahedra, faces with four equivalent Sn(1)Ge12 cuboctahedra, faces with four equivalent Ge(2)Sn4Ge8 cuboctahedra, and faces with ten equivalent Ge(1)Sn4Ge8 cuboctahedra. In the second Ge site, Ge(2) is bonded to four equivalent Sn(1) and eight equivalent Ge(1) atoms to form distorted GeSn4Ge8 cuboctahedra that share corners with four equivalent Ge(2)Sn4Ge8 cuboctahedra, corners with eight equivalent Sn(1)Ge12 cuboctahedra, edges with eight equivalent Ge(2)Sn4Ge8 cuboctahedra, edges with sixteen equivalent Ge(1)Sn4Ge8 cuboctahedra, faces with four equivalent Ge(2)Sn4Ge8 cuboctahedra, faces with six equivalent Sn(1)Ge12 cuboctahedra, and faces with eight equivalent Ge(1)Sn4Ge8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_SnGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.415
_cell_length_b   5.415
_cell_length_c   5.415
_cell_angle_alpha   132.474
_cell_angle_beta   132.474
_cell_angle_gamma   69.482
_symmetry_Int_Tables_number   1
_cell_volume   84.742
_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  0.000  0.000  0.000  1.0
  Ge  Ge1  1  0.750  0.250  0.500  1.0
  Ge  Ge2  1  0.250  0.750  0.500  1.0
  Ge  Ge3  1  0.500  0.500  0.000  1.0
[/CIF]
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The compound described by Sn1Ge3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Sn(1) is bonded to four equivalent Ge(2) and eight equivalent Ge(1) atoms to form SnGe12 cuboctahedra that share corners with four equivalent Sn(1)Ge12 cuboctahedra, corners with eight equivalent Ge(2)Sn4Ge8 cuboctahedra, edges with eight equivalent Sn(1)Ge12 cuboctahedra, edges with sixteen equivalent Ge(1)Sn4Ge8 cuboctahedra, faces with four equivalent Sn(1)Ge12 cuboctahedra, faces with six equivalent Ge(2)Sn4Ge8 cuboctahedra, and faces with eight equivalent Ge(1)Sn4Ge8 cuboctahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to four equivalent Sn(1), four equivalent Ge(1), and four equivalent Ge(2) atoms to form distorted GeSn4Ge8 cuboctahedra that share corners with twelve equivalent Ge(1)Sn4Ge8 cuboctahedra, edges with eight equivalent Sn(1)Ge12 cuboctahedra, edges with eight equivalent Ge(1)Sn4Ge8 cuboctahedra, edges with eight equivalent Ge(2)Sn4Ge8 cuboctahedra, faces with four equivalent Sn(1)Ge12 cuboctahedra, faces with four equivalent Ge(2)Sn4Ge8 cuboctahedra, and faces with ten equivalent Ge(1)Sn4Ge8 cuboctahedra. In the second Ge site, Ge(2) is bonded to four equivalent Sn(1) and eight equivalent Ge(1) atoms to form distorted GeSn4Ge8 cuboctahedra that share corners with four equivalent Ge(2)Sn4Ge8 cuboctahedra, corners with eight equivalent Sn(1)Ge12 cuboctahedra, edges with eight equivalent Ge(2)Sn4Ge8 cuboctahedra, edges with sixteen equivalent Ge(1)Sn4Ge8 cuboctahedra, faces with four equivalent Ge(2)Sn4Ge8 cuboctahedra, faces with six equivalent Sn(1)Ge12 cuboctahedra, and faces with eight equivalent Ge(1)Sn4Ge8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_SnGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.415
_cell_length_b   5.415
_cell_length_c   5.415
_cell_angle_alpha   132.474
_cell_angle_beta   132.474
_cell_angle_gamma   69.482
_symmetry_Int_Tables_number   1
_cell_volume   84.742
_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  0.000  0.000  0.000  1.0
  Ge  Ge1  1  0.750  0.250  0.500  1.0
  Ge  Ge2  1  0.250  0.750  0.500  1.0
  Ge  Ge3  1  0.500  0.500  0.000  1.0
[/CIF]
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