The material described by MgSn 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(2), three equivalent Mg(1), three equivalent Sn(1), and four equivalent Sn(2) atoms to form distorted MgMg5Sn7 cuboctahedra that share corners with nine equivalent Mg(1)Mg5Sn7 cuboctahedra, corners with nine equivalent Sn(1)Mg8Sn4 cuboctahedra, edges with four equivalent Mg(2)Mg4Sn8 cuboctahedra, edges with six equivalent Mg(1)Mg5Sn7 cuboctahedra, edges with eight equivalent Sn(2)Mg7Sn5 cuboctahedra, faces with three equivalent Sn(1)Mg8Sn4 cuboctahedra, faces with four equivalent Mg(2)Mg4Sn8 cuboctahedra, faces with five equivalent Mg(1)Mg5Sn7 cuboctahedra, and faces with eight equivalent Sn(2)Mg7Sn5 cuboctahedra. In the second Mg site, Mg(2) is bonded to four equivalent Mg(1), two equivalent Sn(1), and six equivalent Sn(2) atoms to form distorted MgMg4Sn8 cuboctahedra that share corners with eighteen equivalent Sn(2)Mg7Sn5 cuboctahedra, edges with four equivalent Sn(1)Mg8Sn4 cuboctahedra, edges with six equivalent Mg(2)Mg4Sn8 cuboctahedra, edges with eight equivalent Mg(1)Mg5Sn7 cuboctahedra, faces with two equivalent Mg(2)Mg4Sn8 cuboctahedra, faces with four equivalent Sn(1)Mg8Sn4 cuboctahedra, faces with six equivalent Sn(2)Mg7Sn5 cuboctahedra, and faces with eight equivalent Mg(1)Mg5Sn7 cuboctahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent Mg(2), six equivalent Mg(1), and four equivalent Sn(2) atoms to form distorted SnMg8Sn4 cuboctahedra that share corners with eighteen equivalent Mg(1)Mg5Sn7 cuboctahedra, edges with four equivalent Mg(2)Mg4Sn8 cuboctahedra, edges with six equivalent Sn(1)Mg8Sn4 cuboctahedra, edges with eight equivalent Sn(2)Mg7Sn5 cuboctahedra, faces with two equivalent Sn(1)Mg8Sn4 cuboctahedra, faces with four equivalent Mg(2)Mg4Sn8 cuboctahedra, faces with six equivalent Mg(1)Mg5Sn7 cuboctahedra, and faces with eight equivalent Sn(2)Mg7Sn5 cuboctahedra. In the second Sn site, Sn(2) is bonded to three equivalent Mg(2), four equivalent Mg(1), two equivalent Sn(1), and three equivalent Sn(2) atoms to form distorted SnMg7Sn5 cuboctahedra that share corners with nine equivalent Mg(2)Mg4Sn8 cuboctahedra, corners with nine equivalent Sn(2)Mg7Sn5 cuboctahedra, edges with four equivalent Sn(1)Mg8Sn4 cuboctahedra, edges with six equivalent Sn(2)Mg7Sn5 cuboctahedra, edges with eight equivalent Mg(1)Mg5Sn7 cuboctahedra, faces with three equivalent Mg(2)Mg4Sn8 cuboctahedra, faces with four equivalent Sn(1)Mg8Sn4 cuboctahedra, faces with five equivalent Sn(2)Mg7Sn5 cuboctahedra, and faces with eight equivalent Mg(1)Mg5Sn7 cuboctahedra. is represented by the CIF card [CIF]
data_MgSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.637
_cell_length_b   5.637
_cell_length_c   5.388
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.777
_symmetry_Int_Tables_number   1
_cell_volume   148.614
_cell_formula_units_Z   3
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  1.000  0.333  0.000  1.0
  Mg  Mg1  1  0.333  1.000  0.000  1.0
  Mg  Mg2  1  0.333  0.333  0.500  1.0
  Sn  Sn3  1  0.662  0.662  0.000  1.0
  Sn  Sn4  1  0.005  0.667  0.500  1.0
  Sn  Sn5  1  0.667  0.005  0.500  1.0
[/CIF]
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The material described by MgSn 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(2), three equivalent Mg(1), three equivalent Sn(1), and four equivalent Sn(2) atoms to form distorted MgMg5Sn7 cuboctahedra that share corners with nine equivalent Mg(1)Mg5Sn7 cuboctahedra, corners with nine equivalent Sn(1)Mg8Sn4 cuboctahedra, edges with four equivalent Mg(2)Mg4Sn8 cuboctahedra, edges with six equivalent Mg(1)Mg5Sn7 cuboctahedra, edges with eight equivalent Sn(2)Mg7Sn5 cuboctahedra, faces with three equivalent Sn(1)Mg8Sn4 cuboctahedra, faces with four equivalent Mg(2)Mg4Sn8 cuboctahedra, faces with five equivalent Mg(1)Mg5Sn7 cuboctahedra, and faces with eight equivalent Sn(2)Mg7Sn5 cuboctahedra. In the second Mg site, Mg(2) is bonded to four equivalent Mg(1), two equivalent Sn(1), and six equivalent Sn(2) atoms to form distorted MgMg4Sn8 cuboctahedra that share corners with eighteen equivalent Sn(2)Mg7Sn5 cuboctahedra, edges with four equivalent Sn(1)Mg8Sn4 cuboctahedra, edges with six equivalent Mg(2)Mg4Sn8 cuboctahedra, edges with eight equivalent Mg(1)Mg5Sn7 cuboctahedra, faces with two equivalent Mg(2)Mg4Sn8 cuboctahedra, faces with four equivalent Sn(1)Mg8Sn4 cuboctahedra, faces with six equivalent Sn(2)Mg7Sn5 cuboctahedra, and faces with eight equivalent Mg(1)Mg5Sn7 cuboctahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent Mg(2), six equivalent Mg(1), and four equivalent Sn(2) atoms to form distorted SnMg8Sn4 cuboctahedra that share corners with eighteen equivalent Mg(1)Mg5Sn7 cuboctahedra, edges with four equivalent Mg(2)Mg4Sn8 cuboctahedra, edges with six equivalent Sn(1)Mg8Sn4 cuboctahedra, edges with eight equivalent Sn(2)Mg7Sn5 cuboctahedra, faces with two equivalent Sn(1)Mg8Sn4 cuboctahedra, faces with four equivalent Mg(2)Mg4Sn8 cuboctahedra, faces with six equivalent Mg(1)Mg5Sn7 cuboctahedra, and faces with eight equivalent Sn(2)Mg7Sn5 cuboctahedra. In the second Sn site, Sn(2) is bonded to three equivalent Mg(2), four equivalent Mg(1), two equivalent Sn(1), and three equivalent Sn(2) atoms to form distorted SnMg7Sn5 cuboctahedra that share corners with nine equivalent Mg(2)Mg4Sn8 cuboctahedra, corners with nine equivalent Sn(2)Mg7Sn5 cuboctahedra, edges with four equivalent Sn(1)Mg8Sn4 cuboctahedra, edges with six equivalent Sn(2)Mg7Sn5 cuboctahedra, edges with eight equivalent Mg(1)Mg5Sn7 cuboctahedra, faces with three equivalent Mg(2)Mg4Sn8 cuboctahedra, faces with four equivalent Sn(1)Mg8Sn4 cuboctahedra, faces with five equivalent Sn(2)Mg7Sn5 cuboctahedra, and faces with eight equivalent Mg(1)Mg5Sn7 cuboctahedra. is represented by the CIF card [CIF]
data_MgSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.637
_cell_length_b   5.637
_cell_length_c   5.388
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.777
_symmetry_Int_Tables_number   1
_cell_volume   148.614
_cell_formula_units_Z   3
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  1.000  0.333  0.000  1.0
  Mg  Mg1  1  0.333  1.000  0.000  1.0
  Mg  Mg2  1  0.333  0.333  0.500  1.0
  Sn  Sn3  1  0.662  0.662  0.000  1.0
  Sn  Sn4  1  0.005  0.667  0.500  1.0
  Sn  Sn5  1  0.667  0.005  0.500  1.0
[/CIF]
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