The compound described by MgGe3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Mg(1) is bonded to four equivalent Ge(1) and eight equivalent Ge(2) atoms to form MgGe12 cuboctahedra that share corners with four equivalent Mg(1)Ge12 cuboctahedra, edges with eight equivalent Mg(1)Ge12 cuboctahedra, edges with sixteen equivalent Ge(2)Mg4Ge8 cuboctahedra, faces with four equivalent Mg(1)Ge12 cuboctahedra, and faces with eight equivalent Ge(2)Mg4Ge8 cuboctahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a square co-planar geometry to four equivalent Mg(1) and eight equivalent Ge(2) atoms. In the second Ge site, Ge(2) is bonded to four equivalent Mg(1), four equivalent Ge(1), and four equivalent Ge(2) atoms to form distorted GeMg4Ge8 cuboctahedra that share corners with twelve equivalent Ge(2)Mg4Ge8 cuboctahedra, edges with eight equivalent Mg(1)Ge12 cuboctahedra, edges with eight equivalent Ge(2)Mg4Ge8 cuboctahedra, faces with four equivalent Mg(1)Ge12 cuboctahedra, and faces with ten equivalent Ge(2)Mg4Ge8 cuboctahedra. is represented by the CIF file [CIF]
data_MgGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.362
_cell_length_b   5.362
_cell_length_c   5.362
_cell_angle_alpha   134.081
_cell_angle_beta   134.081
_cell_angle_gamma   66.962
_symmetry_Int_Tables_number   1
_cell_volume   78.257
_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
  Mg  Mg0  1  0.000  0.000  0.000  1.0
  Ge  Ge1  1  0.500  0.500  0.000  1.0
  Ge  Ge2  1  0.750  0.250  0.500  1.0
  Ge  Ge3  1  0.250  0.750  0.500  1.0
[/CIF]
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The compound described by MgGe3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Mg(1) is bonded to four equivalent Ge(1) and eight equivalent Ge(2) atoms to form MgGe12 cuboctahedra that share corners with four equivalent Mg(1)Ge12 cuboctahedra, edges with eight equivalent Mg(1)Ge12 cuboctahedra, edges with sixteen equivalent Ge(2)Mg4Ge8 cuboctahedra, faces with four equivalent Mg(1)Ge12 cuboctahedra, and faces with eight equivalent Ge(2)Mg4Ge8 cuboctahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a square co-planar geometry to four equivalent Mg(1) and eight equivalent Ge(2) atoms. In the second Ge site, Ge(2) is bonded to four equivalent Mg(1), four equivalent Ge(1), and four equivalent Ge(2) atoms to form distorted GeMg4Ge8 cuboctahedra that share corners with twelve equivalent Ge(2)Mg4Ge8 cuboctahedra, edges with eight equivalent Mg(1)Ge12 cuboctahedra, edges with eight equivalent Ge(2)Mg4Ge8 cuboctahedra, faces with four equivalent Mg(1)Ge12 cuboctahedra, and faces with ten equivalent Ge(2)Mg4Ge8 cuboctahedra. is represented by the CIF file [CIF]
data_MgGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.362
_cell_length_b   5.362
_cell_length_c   5.362
_cell_angle_alpha   134.081
_cell_angle_beta   134.081
_cell_angle_gamma   66.962
_symmetry_Int_Tables_number   1
_cell_volume   78.257
_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
  Mg  Mg0  1  0.000  0.000  0.000  1.0
  Ge  Ge1  1  0.500  0.500  0.000  1.0
  Ge  Ge2  1  0.750  0.250  0.500  1.0
  Ge  Ge3  1  0.250  0.750  0.500  1.0
[/CIF]
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