The material structure described by Mg6Sn2Ge is alpha bismuth trifluoride-derived structured and crystallizes in the trigonal P-3m1 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to three equivalent Sn(1) and one Ge(1) atom to form MgSn3Ge tetrahedra that share corners with three equivalent Mg(2)SnGe3 tetrahedra, corners with six equivalent Mg(3)Sn4 tetrahedra, corners with seven equivalent Mg(1)Sn3Ge tetrahedra, edges with three equivalent Mg(3)Sn4 tetrahedra, and edges with three equivalent Mg(2)SnGe3 tetrahedra. In the second Mg site, Mg(2) is bonded to one Sn(1) and three equivalent Ge(1) atoms to form MgSnGe3 tetrahedra that share corners with three equivalent Mg(1)Sn3Ge tetrahedra, corners with four equivalent Mg(3)Sn4 tetrahedra, corners with nine equivalent Mg(2)SnGe3 tetrahedra, edges with three equivalent Mg(1)Sn3Ge tetrahedra, and edges with three equivalent Mg(2)SnGe3 tetrahedra. In the third Mg site, Mg(3) is bonded to four equivalent Sn(1) atoms to form MgSn4 tetrahedra that share corners with four equivalent Mg(2)SnGe3 tetrahedra, corners with six equivalent Mg(1)Sn3Ge tetrahedra, corners with six equivalent Mg(3)Sn4 tetrahedra, edges with three equivalent Mg(1)Sn3Ge tetrahedra, and edges with three equivalent Mg(3)Sn4 tetrahedra. Sn(1) is bonded in a body-centered cubic geometry to one Mg(2), three equivalent Mg(1), and four equivalent Mg(3) atoms. Ge(1) is bonded in a body-centered cubic geometry to two equivalent Mg(1) and six equivalent Mg(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg6Sn2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.692
_cell_length_b   4.692
_cell_length_c   11.466
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   218.579
_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  0.240  1.0
  Mg  Mg1  1  0.333  0.667  0.923  1.0
  Mg  Mg2  1  0.667  0.333  0.585  1.0
  Mg  Mg3  1  0.667  0.333  0.077  1.0
  Mg  Mg4  1  0.000  0.000  0.760  1.0
  Mg  Mg5  1  0.333  0.667  0.415  1.0
  Sn  Sn6  1  0.333  0.667  0.671  1.0
  Sn  Sn7  1  0.667  0.333  0.329  1.0
  Ge  Ge8  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Mg6Sn2Ge is alpha bismuth trifluoride-derived structured and crystallizes in the trigonal P-3m1 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to three equivalent Sn(1) and one Ge(1) atom to form MgSn3Ge tetrahedra that share corners with three equivalent Mg(2)SnGe3 tetrahedra, corners with six equivalent Mg(3)Sn4 tetrahedra, corners with seven equivalent Mg(1)Sn3Ge tetrahedra, edges with three equivalent Mg(3)Sn4 tetrahedra, and edges with three equivalent Mg(2)SnGe3 tetrahedra. In the second Mg site, Mg(2) is bonded to one Sn(1) and three equivalent Ge(1) atoms to form MgSnGe3 tetrahedra that share corners with three equivalent Mg(1)Sn3Ge tetrahedra, corners with four equivalent Mg(3)Sn4 tetrahedra, corners with nine equivalent Mg(2)SnGe3 tetrahedra, edges with three equivalent Mg(1)Sn3Ge tetrahedra, and edges with three equivalent Mg(2)SnGe3 tetrahedra. In the third Mg site, Mg(3) is bonded to four equivalent Sn(1) atoms to form MgSn4 tetrahedra that share corners with four equivalent Mg(2)SnGe3 tetrahedra, corners with six equivalent Mg(1)Sn3Ge tetrahedra, corners with six equivalent Mg(3)Sn4 tetrahedra, edges with three equivalent Mg(1)Sn3Ge tetrahedra, and edges with three equivalent Mg(3)Sn4 tetrahedra. Sn(1) is bonded in a body-centered cubic geometry to one Mg(2), three equivalent Mg(1), and four equivalent Mg(3) atoms. Ge(1) is bonded in a body-centered cubic geometry to two equivalent Mg(1) and six equivalent Mg(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg6Sn2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.692
_cell_length_b   4.692
_cell_length_c   11.466
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   218.579
_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  0.240  1.0
  Mg  Mg1  1  0.333  0.667  0.923  1.0
  Mg  Mg2  1  0.667  0.333  0.585  1.0
  Mg  Mg3  1  0.667  0.333  0.077  1.0
  Mg  Mg4  1  0.000  0.000  0.760  1.0
  Mg  Mg5  1  0.333  0.667  0.415  1.0
  Sn  Sn6  1  0.333  0.667  0.671  1.0
  Sn  Sn7  1  0.667  0.333  0.329  1.0
  Ge  Ge8  1  0.000  0.000  0.000  1.0
[/CIF]
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