The compound described by MgSn5 crystallizes in the hexagonal P-62m space group. Mg(1) is bonded to six equivalent Sn(1) and six equivalent Sn(2) atoms to form MgSn12 cuboctahedra that share edges with six equivalent Mg(1)Sn12 cuboctahedra, edges with twelve equivalent Sn(1)Mg2Sn10 cuboctahedra, faces with two equivalent Mg(1)Sn12 cuboctahedra, and faces with twelve equivalent Sn(1)Mg2Sn10 cuboctahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent Mg(1), four equivalent Sn(2), and six equivalent Sn(1) atoms to form distorted SnMg2Sn10 cuboctahedra that share corners with eighteen equivalent Sn(1)Mg2Sn10 cuboctahedra, edges with four equivalent Mg(1)Sn12 cuboctahedra, edges with six equivalent Sn(1)Mg2Sn10 cuboctahedra, faces with four equivalent Mg(1)Sn12 cuboctahedra, and faces with eight equivalent Sn(1)Mg2Sn10 cuboctahedra. In the second Sn site, Sn(2) is bonded in a distorted trigonal planar geometry to three equivalent Mg(1) and six equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.650
_cell_length_b   5.650
_cell_length_c   5.617
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   155.301
_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  0.500  1.0
  Sn  Sn1  1  0.670  0.000  0.000  1.0
  Sn  Sn2  1  0.330  0.330  0.000  1.0
  Sn  Sn3  1  0.000  0.670  0.000  1.0
  Sn  Sn4  1  0.667  0.333  0.500  1.0
  Sn  Sn5  1  0.333  0.667  0.500  1.0
[/CIF]
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The compound described by MgSn5 crystallizes in the hexagonal P-62m space group. Mg(1) is bonded to six equivalent Sn(1) and six equivalent Sn(2) atoms to form MgSn12 cuboctahedra that share edges with six equivalent Mg(1)Sn12 cuboctahedra, edges with twelve equivalent Sn(1)Mg2Sn10 cuboctahedra, faces with two equivalent Mg(1)Sn12 cuboctahedra, and faces with twelve equivalent Sn(1)Mg2Sn10 cuboctahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent Mg(1), four equivalent Sn(2), and six equivalent Sn(1) atoms to form distorted SnMg2Sn10 cuboctahedra that share corners with eighteen equivalent Sn(1)Mg2Sn10 cuboctahedra, edges with four equivalent Mg(1)Sn12 cuboctahedra, edges with six equivalent Sn(1)Mg2Sn10 cuboctahedra, faces with four equivalent Mg(1)Sn12 cuboctahedra, and faces with eight equivalent Sn(1)Mg2Sn10 cuboctahedra. In the second Sn site, Sn(2) is bonded in a distorted trigonal planar geometry to three equivalent Mg(1) and six equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.650
_cell_length_b   5.650
_cell_length_c   5.617
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   155.301
_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  0.500  1.0
  Sn  Sn1  1  0.670  0.000  0.000  1.0
  Sn  Sn2  1  0.330  0.330  0.000  1.0
  Sn  Sn3  1  0.000  0.670  0.000  1.0
  Sn  Sn4  1  0.667  0.333  0.500  1.0
  Sn  Sn5  1  0.333  0.667  0.500  1.0
[/CIF]
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