The material described by AlGe3 crystallizes in the tetragonal I4/mmm space group. Al(1) is bonded to four equivalent Ge(2) and eight equivalent Ge(1) atoms to form AlGe12 cuboctahedra that share corners with four equivalent Al(1)Ge12 cuboctahedra, edges with eight equivalent Al(1)Ge12 cuboctahedra, edges with sixteen equivalent Ge(1)Al4Ge8 cuboctahedra, faces with four equivalent Al(1)Ge12 cuboctahedra, and faces with eight equivalent Ge(1)Al4Ge8 cuboctahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to four equivalent Al(1), four equivalent Ge(1), and four equivalent Ge(2) atoms to form distorted GeAl4Ge8 cuboctahedra that share corners with twelve equivalent Ge(1)Al4Ge8 cuboctahedra, edges with eight equivalent Al(1)Ge12 cuboctahedra, edges with eight equivalent Ge(1)Al4Ge8 cuboctahedra, faces with four equivalent Al(1)Ge12 cuboctahedra, and faces with ten equivalent Ge(1)Al4Ge8 cuboctahedra. In the second Ge site, Ge(2) is bonded in a square co-planar geometry to four equivalent Al(1) and eight equivalent Ge(1) atoms. is represented by the CIF card [CIF]
data_AlGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.395
_cell_length_b   5.395
_cell_length_c   5.395
_cell_angle_alpha   135.934
_cell_angle_beta   135.934
_cell_angle_gamma   64.082
_symmetry_Int_Tables_number   1
_cell_volume   74.925
_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
  Al  Al0  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 material described by AlGe3 crystallizes in the tetragonal I4/mmm space group. Al(1) is bonded to four equivalent Ge(2) and eight equivalent Ge(1) atoms to form AlGe12 cuboctahedra that share corners with four equivalent Al(1)Ge12 cuboctahedra, edges with eight equivalent Al(1)Ge12 cuboctahedra, edges with sixteen equivalent Ge(1)Al4Ge8 cuboctahedra, faces with four equivalent Al(1)Ge12 cuboctahedra, and faces with eight equivalent Ge(1)Al4Ge8 cuboctahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to four equivalent Al(1), four equivalent Ge(1), and four equivalent Ge(2) atoms to form distorted GeAl4Ge8 cuboctahedra that share corners with twelve equivalent Ge(1)Al4Ge8 cuboctahedra, edges with eight equivalent Al(1)Ge12 cuboctahedra, edges with eight equivalent Ge(1)Al4Ge8 cuboctahedra, faces with four equivalent Al(1)Ge12 cuboctahedra, and faces with ten equivalent Ge(1)Al4Ge8 cuboctahedra. In the second Ge site, Ge(2) is bonded in a square co-planar geometry to four equivalent Al(1) and eight equivalent Ge(1) atoms. is represented by the CIF card [CIF]
data_AlGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.395
_cell_length_b   5.395
_cell_length_c   5.395
_cell_angle_alpha   135.934
_cell_angle_beta   135.934
_cell_angle_gamma   64.082
_symmetry_Int_Tables_number   1
_cell_volume   74.925
_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
  Al  Al0  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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