The crystal structure described by GaGe3 crystallizes in the hexagonal P6_3/mmc space group. Ga(1) is bonded to twelve Ge(1,1) atoms to form GaGe12 cuboctahedra that share corners with six equivalent Ga(1)Ge12 cuboctahedra; corners with twelve Ge(1,1)Ga4Ge8 cuboctahedra; edges with eighteen Ge(1,1)Ga4Ge8 cuboctahedra; faces with eight equivalent Ga(1)Ge12 cuboctahedra; and faces with twelve Ge(1,1)Ga4Ge8 cuboctahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to four equivalent Ga(1) and eight Ge(1,1) atoms to form distorted GeGa4Ge8 cuboctahedra that share corners with four equivalent Ga(1)Ge12 cuboctahedra; corners with fourteen equivalent Ge(1)Ga4Ge8 cuboctahedra; edges with six equivalent Ga(1)Ge12 cuboctahedra; edges with twelve Ge(1,1)Ga4Ge8 cuboctahedra; faces with four equivalent Ga(1)Ge12 cuboctahedra; and faces with sixteen Ge(1,1)Ga4Ge8 cuboctahedra. In the second Ge site, Ge(1) is bonded to four equivalent Ga(1) and eight Ge(1,1) atoms to form distorted GeGa4Ge8 cuboctahedra that share corners with four equivalent Ga(1)Ge12 cuboctahedra; corners with fourteen Ge(1,1)Ga4Ge8 cuboctahedra; edges with six equivalent Ga(1)Ge12 cuboctahedra; edges with twelve Ge(1,1)Ga4Ge8 cuboctahedra; faces with four equivalent Ga(1)Ge12 cuboctahedra; and faces with sixteen Ge(1,1)Ga4Ge8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_GaGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.985
_cell_length_b   5.985
_cell_length_c   5.035
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   156.192
_cell_formula_units_Z   2
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  0.333  0.667  0.750  1.0
  Ga  Ga1  1  0.667  0.333  0.250  1.0
  Ge  Ge2  1  0.164  0.327  0.250  1.0
  Ge  Ge3  1  0.673  0.836  0.250  1.0
  Ge  Ge4  1  0.164  0.836  0.250  1.0
  Ge  Ge5  1  0.836  0.673  0.750  1.0
  Ge  Ge6  1  0.327  0.164  0.750  1.0
  Ge  Ge7  1  0.836  0.164  0.750  1.0
[/CIF]
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The crystal structure described by GaGe3 crystallizes in the hexagonal P6_3/mmc space group. Ga(1) is bonded to twelve Ge(1,1) atoms to form GaGe12 cuboctahedra that share corners with six equivalent Ga(1)Ge12 cuboctahedra; corners with twelve Ge(1,1)Ga4Ge8 cuboctahedra; edges with eighteen Ge(1,1)Ga4Ge8 cuboctahedra; faces with eight equivalent Ga(1)Ge12 cuboctahedra; and faces with twelve Ge(1,1)Ga4Ge8 cuboctahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to four equivalent Ga(1) and eight Ge(1,1) atoms to form distorted GeGa4Ge8 cuboctahedra that share corners with four equivalent Ga(1)Ge12 cuboctahedra; corners with fourteen equivalent Ge(1)Ga4Ge8 cuboctahedra; edges with six equivalent Ga(1)Ge12 cuboctahedra; edges with twelve Ge(1,1)Ga4Ge8 cuboctahedra; faces with four equivalent Ga(1)Ge12 cuboctahedra; and faces with sixteen Ge(1,1)Ga4Ge8 cuboctahedra. In the second Ge site, Ge(1) is bonded to four equivalent Ga(1) and eight Ge(1,1) atoms to form distorted GeGa4Ge8 cuboctahedra that share corners with four equivalent Ga(1)Ge12 cuboctahedra; corners with fourteen Ge(1,1)Ga4Ge8 cuboctahedra; edges with six equivalent Ga(1)Ge12 cuboctahedra; edges with twelve Ge(1,1)Ga4Ge8 cuboctahedra; faces with four equivalent Ga(1)Ge12 cuboctahedra; and faces with sixteen Ge(1,1)Ga4Ge8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_GaGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.985
_cell_length_b   5.985
_cell_length_c   5.035
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   156.192
_cell_formula_units_Z   2
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  0.333  0.667  0.750  1.0
  Ga  Ga1  1  0.667  0.333  0.250  1.0
  Ge  Ge2  1  0.164  0.327  0.250  1.0
  Ge  Ge3  1  0.673  0.836  0.250  1.0
  Ge  Ge4  1  0.164  0.836  0.250  1.0
  Ge  Ge5  1  0.836  0.673  0.750  1.0
  Ge  Ge6  1  0.327  0.164  0.750  1.0
  Ge  Ge7  1  0.836  0.164  0.750  1.0
[/CIF]
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