The compound described by LiAlGe is half-Heusler structured and crystallizes in the cubic F-43m space group. Li(1) is bonded in a body-centered cubic geometry to four equivalent Al(1) and four equivalent Ge(1) atoms. Al(1) is bonded to four equivalent Li(1) and six equivalent Ge(1) atoms to form distorted AlLi4Ge6 tetrahedra that share corners with four equivalent Ge(1)Li4Al6 tetrahedra, corners with six equivalent Al(1)Li4Ge6 tetrahedra, edges with six equivalent Ge(1)Li4Al6 tetrahedra, and faces with twelve equivalent Al(1)Li4Ge6 tetrahedra. Ge(1) is bonded to four equivalent Li(1) and six equivalent Al(1) atoms to form distorted GeLi4Al6 tetrahedra that share corners with four equivalent Al(1)Li4Ge6 tetrahedra, corners with six equivalent Ge(1)Li4Al6 tetrahedra, edges with six equivalent Al(1)Li4Ge6 tetrahedra, and faces with twelve equivalent Ge(1)Li4Al6 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiAlGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.159
_cell_length_b   4.159
_cell_length_c   4.159
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   50.873
_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
  Li  Li0  1  0.750  0.750  0.750  1.0
  Al  Al1  1  0.000  0.000  0.000  1.0
  Ge  Ge2  1  0.500  0.500  0.500  1.0
[/CIF]
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The compound described by LiAlGe is half-Heusler structured and crystallizes in the cubic F-43m space group. Li(1) is bonded in a body-centered cubic geometry to four equivalent Al(1) and four equivalent Ge(1) atoms. Al(1) is bonded to four equivalent Li(1) and six equivalent Ge(1) atoms to form distorted AlLi4Ge6 tetrahedra that share corners with four equivalent Ge(1)Li4Al6 tetrahedra, corners with six equivalent Al(1)Li4Ge6 tetrahedra, edges with six equivalent Ge(1)Li4Al6 tetrahedra, and faces with twelve equivalent Al(1)Li4Ge6 tetrahedra. Ge(1) is bonded to four equivalent Li(1) and six equivalent Al(1) atoms to form distorted GeLi4Al6 tetrahedra that share corners with four equivalent Al(1)Li4Ge6 tetrahedra, corners with six equivalent Ge(1)Li4Al6 tetrahedra, edges with six equivalent Al(1)Li4Ge6 tetrahedra, and faces with twelve equivalent Ge(1)Li4Al6 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiAlGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.159
_cell_length_b   4.159
_cell_length_c   4.159
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   50.873
_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
  Li  Li0  1  0.750  0.750  0.750  1.0
  Al  Al1  1  0.000  0.000  0.000  1.0
  Ge  Ge2  1  0.500  0.500  0.500  1.0
[/CIF]
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