The structure described by MgSn5 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded to two equivalent Mg(1), two equivalent Sn(3), two equivalent Sn(4), two equivalent Sn(5), and four equivalent Sn(2) atoms to form distorted MgMg2Sn10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Sn10 cuboctahedra, edges with eight equivalent Sn(1)Sn12 cuboctahedra, faces with two equivalent Sn(1)Sn12 cuboctahedra, faces with four equivalent Mg(1)Mg2Sn10 cuboctahedra, and faces with six equivalent Sn(3)Mg2Sn10 cuboctahedra. There are five inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent Sn(1), two equivalent Sn(2), two equivalent Sn(3), two equivalent Sn(4), and four equivalent Sn(5) atoms to form SnSn12 cuboctahedra that share corners with six equivalent Sn(3)Mg2Sn10 cuboctahedra, corners with six equivalent Sn(1)Sn12 cuboctahedra, edges with three equivalent Sn(3)Mg2Sn10 cuboctahedra, edges with eight equivalent Mg(1)Mg2Sn10 cuboctahedra, faces with two equivalent Mg(1)Mg2Sn10 cuboctahedra, faces with two equivalent Sn(3)Mg2Sn10 cuboctahedra, and faces with four equivalent Sn(1)Sn12 cuboctahedra. In the second Sn site, Sn(2) is bonded in a 4-coordinate geometry to four equivalent Mg(1), two equivalent Sn(1), and two equivalent Sn(3) atoms. In the third Sn site, Sn(3) is bonded to two equivalent Mg(1), two equivalent Sn(1), two equivalent Sn(2), two equivalent Sn(3), and four equivalent Sn(4) atoms to form distorted SnMg2Sn10 cuboctahedra that share corners with six equivalent Sn(3)Mg2Sn10 cuboctahedra, corners with six equivalent Sn(1)Sn12 cuboctahedra, edges with three equivalent Sn(1)Sn12 cuboctahedra, faces with two equivalent Sn(1)Sn12 cuboctahedra, faces with four equivalent Sn(3)Mg2Sn10 cuboctahedra, and faces with six equivalent Mg(1)Mg2Sn10 cuboctahedra. In the fourth Sn site, Sn(4) is bonded in a 2-coordinate geometry to two equivalent Mg(1), two equivalent Sn(1), and four equivalent Sn(3) atoms. In the fifth Sn site, Sn(5) is bonded in a 2-coordinate geometry to two equivalent Mg(1) and four equivalent Sn(1) atoms. is represented by the CIF card [CIF]
data_MgSn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.052
_cell_length_b   9.052
_cell_length_c   5.514
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   159.060
_symmetry_Int_Tables_number   1
_cell_volume   161.449
_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  0.777  0.223  0.500  1.0
  Sn  Sn1  1  1.000  0.000  0.000  1.0
  Sn  Sn2  1  0.331  0.669  0.000  1.0
  Sn  Sn3  1  0.669  0.331  0.000  1.0
  Sn  Sn4  1  0.115  0.885  0.500  1.0
  Sn  Sn5  1  0.442  0.558  0.500  1.0
[/CIF]
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The structure described by MgSn5 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded to two equivalent Mg(1), two equivalent Sn(3), two equivalent Sn(4), two equivalent Sn(5), and four equivalent Sn(2) atoms to form distorted MgMg2Sn10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Sn10 cuboctahedra, edges with eight equivalent Sn(1)Sn12 cuboctahedra, faces with two equivalent Sn(1)Sn12 cuboctahedra, faces with four equivalent Mg(1)Mg2Sn10 cuboctahedra, and faces with six equivalent Sn(3)Mg2Sn10 cuboctahedra. There are five inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent Sn(1), two equivalent Sn(2), two equivalent Sn(3), two equivalent Sn(4), and four equivalent Sn(5) atoms to form SnSn12 cuboctahedra that share corners with six equivalent Sn(3)Mg2Sn10 cuboctahedra, corners with six equivalent Sn(1)Sn12 cuboctahedra, edges with three equivalent Sn(3)Mg2Sn10 cuboctahedra, edges with eight equivalent Mg(1)Mg2Sn10 cuboctahedra, faces with two equivalent Mg(1)Mg2Sn10 cuboctahedra, faces with two equivalent Sn(3)Mg2Sn10 cuboctahedra, and faces with four equivalent Sn(1)Sn12 cuboctahedra. In the second Sn site, Sn(2) is bonded in a 4-coordinate geometry to four equivalent Mg(1), two equivalent Sn(1), and two equivalent Sn(3) atoms. In the third Sn site, Sn(3) is bonded to two equivalent Mg(1), two equivalent Sn(1), two equivalent Sn(2), two equivalent Sn(3), and four equivalent Sn(4) atoms to form distorted SnMg2Sn10 cuboctahedra that share corners with six equivalent Sn(3)Mg2Sn10 cuboctahedra, corners with six equivalent Sn(1)Sn12 cuboctahedra, edges with three equivalent Sn(1)Sn12 cuboctahedra, faces with two equivalent Sn(1)Sn12 cuboctahedra, faces with four equivalent Sn(3)Mg2Sn10 cuboctahedra, and faces with six equivalent Mg(1)Mg2Sn10 cuboctahedra. In the fourth Sn site, Sn(4) is bonded in a 2-coordinate geometry to two equivalent Mg(1), two equivalent Sn(1), and four equivalent Sn(3) atoms. In the fifth Sn site, Sn(5) is bonded in a 2-coordinate geometry to two equivalent Mg(1) and four equivalent Sn(1) atoms. is represented by the CIF card [CIF]
data_MgSn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.052
_cell_length_b   9.052
_cell_length_c   5.514
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   159.060
_symmetry_Int_Tables_number   1
_cell_volume   161.449
_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  0.777  0.223  0.500  1.0
  Sn  Sn1  1  1.000  0.000  0.000  1.0
  Sn  Sn2  1  0.331  0.669  0.000  1.0
  Sn  Sn3  1  0.669  0.331  0.000  1.0
  Sn  Sn4  1  0.115  0.885  0.500  1.0
  Sn  Sn5  1  0.442  0.558  0.500  1.0
[/CIF]
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