The crystal structure described by Mg4GeSi crystallizes in the trigonal R-3m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one Ge(1) and three equivalent Si(1) atoms to form MgSi3Ge tetrahedra that share corners with six equivalent Mg(2)SiGe3 tetrahedra, corners with ten equivalent Mg(1)Si3Ge tetrahedra, edges with three equivalent Mg(1)Si3Ge tetrahedra, and edges with three equivalent Mg(2)SiGe3 tetrahedra. In the second Mg site, Mg(2) is bonded to three equivalent Ge(1) and one Si(1) atom to form MgSiGe3 tetrahedra that share corners with six equivalent Mg(1)Si3Ge tetrahedra, corners with ten equivalent Mg(2)SiGe3 tetrahedra, edges with three equivalent Mg(1)Si3Ge tetrahedra, and edges with three equivalent Mg(2)SiGe3 tetrahedra. Ge(1) is bonded in a body-centered cubic geometry to two equivalent Mg(1) and six equivalent Mg(2) atoms. Si(1) is bonded in a body-centered cubic geometry to two equivalent Mg(2) and six equivalent Mg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg4SiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.771
_cell_length_b   7.771
_cell_length_c   7.771
_cell_angle_alpha   33.575
_cell_angle_beta   33.575
_cell_angle_gamma   33.575
_symmetry_Int_Tables_number   1
_cell_volume   127.845
_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  0.625  0.625  0.625  1.0
  Mg  Mg1  1  0.125  0.125  0.125  1.0
  Mg  Mg2  1  0.875  0.875  0.875  1.0
  Mg  Mg3  1  0.375  0.375  0.375  1.0
  Si  Si4  1  0.000  0.000  0.000  1.0
  Ge  Ge5  1  0.500  0.500  0.500  1.0
[/CIF]
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The crystal structure described by Mg4GeSi crystallizes in the trigonal R-3m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one Ge(1) and three equivalent Si(1) atoms to form MgSi3Ge tetrahedra that share corners with six equivalent Mg(2)SiGe3 tetrahedra, corners with ten equivalent Mg(1)Si3Ge tetrahedra, edges with three equivalent Mg(1)Si3Ge tetrahedra, and edges with three equivalent Mg(2)SiGe3 tetrahedra. In the second Mg site, Mg(2) is bonded to three equivalent Ge(1) and one Si(1) atom to form MgSiGe3 tetrahedra that share corners with six equivalent Mg(1)Si3Ge tetrahedra, corners with ten equivalent Mg(2)SiGe3 tetrahedra, edges with three equivalent Mg(1)Si3Ge tetrahedra, and edges with three equivalent Mg(2)SiGe3 tetrahedra. Ge(1) is bonded in a body-centered cubic geometry to two equivalent Mg(1) and six equivalent Mg(2) atoms. Si(1) is bonded in a body-centered cubic geometry to two equivalent Mg(2) and six equivalent Mg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg4SiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.771
_cell_length_b   7.771
_cell_length_c   7.771
_cell_angle_alpha   33.575
_cell_angle_beta   33.575
_cell_angle_gamma   33.575
_symmetry_Int_Tables_number   1
_cell_volume   127.845
_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  0.625  0.625  0.625  1.0
  Mg  Mg1  1  0.125  0.125  0.125  1.0
  Mg  Mg2  1  0.875  0.875  0.875  1.0
  Mg  Mg3  1  0.375  0.375  0.375  1.0
  Si  Si4  1  0.000  0.000  0.000  1.0
  Ge  Ge5  1  0.500  0.500  0.500  1.0
[/CIF]
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