The crystal structure described by MgSn2 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Sn(1), two equivalent Sn(4), and four equivalent Sn(3) atoms to form distorted MgMg4Sn8 cuboctahedra that share corners with four equivalent Sn(3)Mg6 cuboctahedra, corners with six equivalent Mg(1)Mg4Sn8 cuboctahedra, corners with six equivalent Mg(2)Mg4Sn8 cuboctahedra, corners with six equivalent Sn(4)Mg4Sn8 cuboctahedra, edges with three equivalent Mg(2)Mg4Sn8 cuboctahedra, edges with three equivalent Sn(4)Mg4Sn8 cuboctahedra, edges with four equivalent Sn(3)Mg6 cuboctahedra, faces with two equivalent Mg(2)Mg4Sn8 cuboctahedra, faces with two equivalent Sn(4)Mg4Sn8 cuboctahedra, and faces with four equivalent Mg(1)Mg4Sn8 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Sn(3), two equivalent Sn(4), and four equivalent Sn(2) atoms to form distorted MgMg4Sn8 cuboctahedra that share corners with six equivalent Mg(1)Mg4Sn8 cuboctahedra, corners with six equivalent Mg(2)Mg4Sn8 cuboctahedra, corners with six equivalent Sn(4)Mg4Sn8 cuboctahedra, edges with three equivalent Mg(1)Mg4Sn8 cuboctahedra, edges with three equivalent Sn(4)Mg4Sn8 cuboctahedra, edges with six equivalent Sn(3)Mg6 cuboctahedra, faces with two equivalent Mg(1)Mg4Sn8 cuboctahedra, faces with two equivalent Sn(4)Mg4Sn8 cuboctahedra, and faces with four equivalent Mg(2)Mg4Sn8 cuboctahedra. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted water-like geometry to two equivalent Mg(1) and four equivalent Sn(4) atoms. In the second Sn site, Sn(2) is bonded in a 4-coordinate geometry to four equivalent Mg(2) and two equivalent Sn(4) atoms. In the third Sn site, Sn(3) is bonded to two equivalent Mg(2) and four equivalent Mg(1) atoms to form distorted SnMg6 cuboctahedra that share corners with four equivalent Mg(1)Mg4Sn8 cuboctahedra, corners with four equivalent Sn(3)Mg6 cuboctahedra, corners with eight equivalent Sn(4)Mg4Sn8 cuboctahedra, edges with two equivalent Sn(4)Mg4Sn8 cuboctahedra, edges with two equivalent Sn(3)Mg6 cuboctahedra, edges with four equivalent Mg(1)Mg4Sn8 cuboctahedra, edges with six equivalent Mg(2)Mg4Sn8 cuboctahedra, and faces with two equivalent Sn(3)Mg6 cuboctahedra. In the fourth Sn site, Sn(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Sn(2), two equivalent Sn(4), and four equivalent Sn(1) atoms to form distorted SnMg4Sn8 cuboctahedra that share corners with six equivalent Mg(1)Mg4Sn8 cuboctahedra, corners with six equivalent Mg(2)Mg4Sn8 cuboctahedra, corners with six equivalent Sn(4)Mg4Sn8 cuboctahedra, corners with eight equivalent Sn(3)Mg6 cuboctahedra, edges with two equivalent Sn(3)Mg6 cuboctahedra, edges with three equivalent Mg(1)Mg4Sn8 cuboctahedra, edges with three equivalent Mg(2)Mg4Sn8 cuboctahedra, faces with two equivalent Mg(1)Mg4Sn8 cuboctahedra, faces with two equivalent Mg(2)Mg4Sn8 cuboctahedra, and faces with four equivalent Sn(4)Mg4Sn8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.043
_cell_length_b   9.043
_cell_length_c   5.212
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   158.705
_symmetry_Int_Tables_number   1
_cell_volume   154.793
_cell_formula_units_Z   2
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  0.112  0.888  0.500  1.0
  Mg  Mg1  1  0.777  0.223  0.500  1.0
  Sn  Sn2  1  0.002  0.998  0.000  1.0
  Sn  Sn3  1  0.330  0.670  0.000  1.0
  Sn  Sn4  1  0.667  0.333  0.000  1.0
  Sn  Sn5  1  0.445  0.555  0.500  1.0
[/CIF]
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The crystal structure described by MgSn2 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Sn(1), two equivalent Sn(4), and four equivalent Sn(3) atoms to form distorted MgMg4Sn8 cuboctahedra that share corners with four equivalent Sn(3)Mg6 cuboctahedra, corners with six equivalent Mg(1)Mg4Sn8 cuboctahedra, corners with six equivalent Mg(2)Mg4Sn8 cuboctahedra, corners with six equivalent Sn(4)Mg4Sn8 cuboctahedra, edges with three equivalent Mg(2)Mg4Sn8 cuboctahedra, edges with three equivalent Sn(4)Mg4Sn8 cuboctahedra, edges with four equivalent Sn(3)Mg6 cuboctahedra, faces with two equivalent Mg(2)Mg4Sn8 cuboctahedra, faces with two equivalent Sn(4)Mg4Sn8 cuboctahedra, and faces with four equivalent Mg(1)Mg4Sn8 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Sn(3), two equivalent Sn(4), and four equivalent Sn(2) atoms to form distorted MgMg4Sn8 cuboctahedra that share corners with six equivalent Mg(1)Mg4Sn8 cuboctahedra, corners with six equivalent Mg(2)Mg4Sn8 cuboctahedra, corners with six equivalent Sn(4)Mg4Sn8 cuboctahedra, edges with three equivalent Mg(1)Mg4Sn8 cuboctahedra, edges with three equivalent Sn(4)Mg4Sn8 cuboctahedra, edges with six equivalent Sn(3)Mg6 cuboctahedra, faces with two equivalent Mg(1)Mg4Sn8 cuboctahedra, faces with two equivalent Sn(4)Mg4Sn8 cuboctahedra, and faces with four equivalent Mg(2)Mg4Sn8 cuboctahedra. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted water-like geometry to two equivalent Mg(1) and four equivalent Sn(4) atoms. In the second Sn site, Sn(2) is bonded in a 4-coordinate geometry to four equivalent Mg(2) and two equivalent Sn(4) atoms. In the third Sn site, Sn(3) is bonded to two equivalent Mg(2) and four equivalent Mg(1) atoms to form distorted SnMg6 cuboctahedra that share corners with four equivalent Mg(1)Mg4Sn8 cuboctahedra, corners with four equivalent Sn(3)Mg6 cuboctahedra, corners with eight equivalent Sn(4)Mg4Sn8 cuboctahedra, edges with two equivalent Sn(4)Mg4Sn8 cuboctahedra, edges with two equivalent Sn(3)Mg6 cuboctahedra, edges with four equivalent Mg(1)Mg4Sn8 cuboctahedra, edges with six equivalent Mg(2)Mg4Sn8 cuboctahedra, and faces with two equivalent Sn(3)Mg6 cuboctahedra. In the fourth Sn site, Sn(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Sn(2), two equivalent Sn(4), and four equivalent Sn(1) atoms to form distorted SnMg4Sn8 cuboctahedra that share corners with six equivalent Mg(1)Mg4Sn8 cuboctahedra, corners with six equivalent Mg(2)Mg4Sn8 cuboctahedra, corners with six equivalent Sn(4)Mg4Sn8 cuboctahedra, corners with eight equivalent Sn(3)Mg6 cuboctahedra, edges with two equivalent Sn(3)Mg6 cuboctahedra, edges with three equivalent Mg(1)Mg4Sn8 cuboctahedra, edges with three equivalent Mg(2)Mg4Sn8 cuboctahedra, faces with two equivalent Mg(1)Mg4Sn8 cuboctahedra, faces with two equivalent Mg(2)Mg4Sn8 cuboctahedra, and faces with four equivalent Sn(4)Mg4Sn8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.043
_cell_length_b   9.043
_cell_length_c   5.212
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   158.705
_symmetry_Int_Tables_number   1
_cell_volume   154.793
_cell_formula_units_Z   2
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  0.112  0.888  0.500  1.0
  Mg  Mg1  1  0.777  0.223  0.500  1.0
  Sn  Sn2  1  0.002  0.998  0.000  1.0
  Sn  Sn3  1  0.330  0.670  0.000  1.0
  Sn  Sn4  1  0.667  0.333  0.000  1.0
  Sn  Sn5  1  0.445  0.555  0.500  1.0
[/CIF]
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