The crystal structure described by Mg6Sn2Si crystallizes in the orthorhombic Immm space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Sn(1) and two equivalent Si(1) atoms to form MgSi2Sn2 tetrahedra that share corners with four equivalent Mg(1)Si2Sn2 tetrahedra, corners with twelve equivalent Mg(2)SiSn3 tetrahedra, edges with two equivalent Mg(1)Si2Sn2 tetrahedra, and edges with four equivalent Mg(2)SiSn3 tetrahedra. In the second Mg site, Mg(2) is bonded to three equivalent Sn(1) and one Si(1) atom to form MgSiSn3 tetrahedra that share corners with six equivalent Mg(1)Si2Sn2 tetrahedra, corners with ten equivalent Mg(2)SiSn3 tetrahedra, edges with two equivalent Mg(1)Si2Sn2 tetrahedra, and edges with four equivalent Mg(2)SiSn3 tetrahedra. Sn(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 four equivalent Mg(1) and four equivalent Mg(2) atoms. is represented by the CIF card [CIF]
data_Mg6SiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.154
_cell_length_b   8.154
_cell_length_c   8.154
_cell_angle_alpha   146.333
_cell_angle_beta   131.727
_cell_angle_gamma   60.141
_symmetry_Int_Tables_number   1
_cell_volume   222.262
_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  0.236  0.500  0.736  1.0
  Mg  Mg1  1  0.918  0.161  0.758  1.0
  Mg  Mg2  1  0.597  0.839  0.758  1.0
  Mg  Mg3  1  0.764  0.500  0.264  1.0
  Mg  Mg4  1  0.403  0.161  0.242  1.0
  Mg  Mg5  1  0.082  0.839  0.242  1.0
  Si  Si6  1  0.000  0.000  0.000  1.0
  Sn  Sn7  1  0.666  0.666  0.000  1.0
  Sn  Sn8  1  0.334  0.334  0.000  1.0
[/CIF]
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The crystal structure described by Mg6Sn2Si crystallizes in the orthorhombic Immm space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Sn(1) and two equivalent Si(1) atoms to form MgSi2Sn2 tetrahedra that share corners with four equivalent Mg(1)Si2Sn2 tetrahedra, corners with twelve equivalent Mg(2)SiSn3 tetrahedra, edges with two equivalent Mg(1)Si2Sn2 tetrahedra, and edges with four equivalent Mg(2)SiSn3 tetrahedra. In the second Mg site, Mg(2) is bonded to three equivalent Sn(1) and one Si(1) atom to form MgSiSn3 tetrahedra that share corners with six equivalent Mg(1)Si2Sn2 tetrahedra, corners with ten equivalent Mg(2)SiSn3 tetrahedra, edges with two equivalent Mg(1)Si2Sn2 tetrahedra, and edges with four equivalent Mg(2)SiSn3 tetrahedra. Sn(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 four equivalent Mg(1) and four equivalent Mg(2) atoms. is represented by the CIF card [CIF]
data_Mg6SiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.154
_cell_length_b   8.154
_cell_length_c   8.154
_cell_angle_alpha   146.333
_cell_angle_beta   131.727
_cell_angle_gamma   60.141
_symmetry_Int_Tables_number   1
_cell_volume   222.262
_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  0.236  0.500  0.736  1.0
  Mg  Mg1  1  0.918  0.161  0.758  1.0
  Mg  Mg2  1  0.597  0.839  0.758  1.0
  Mg  Mg3  1  0.764  0.500  0.264  1.0
  Mg  Mg4  1  0.403  0.161  0.242  1.0
  Mg  Mg5  1  0.082  0.839  0.242  1.0
  Si  Si6  1  0.000  0.000  0.000  1.0
  Sn  Sn7  1  0.666  0.666  0.000  1.0
  Sn  Sn8  1  0.334  0.334  0.000  1.0
[/CIF]
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