The material structure described by Mg5Sn crystallizes in the monoclinic Cm space group. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 2-coordinate geometry to two equivalent Mg(2), three equivalent Mg(5), and two equivalent Sn(1) atoms. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to one Mg(5), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and three equivalent Sn(1) atoms. In the third Mg site, Mg(3) is bonded in a 2-coordinate geometry to two equivalent Mg(2), two equivalent Mg(5), and two equivalent Sn(1) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted single-bond geometry to two equivalent Mg(2), two equivalent Mg(5), and one Sn(1) atom. In the fifth Mg site, Mg(5) is bonded in a 12-coordinate geometry to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(5), three equivalent Mg(1), and two equivalent Sn(1) atoms. Sn(1) is bonded in a 10-coordinate geometry to one Mg(4), two equivalent Mg(1), two equivalent Mg(3), two equivalent Mg(5), and three equivalent Mg(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg5Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.183
_cell_length_b   6.183
_cell_length_c   7.157
_cell_angle_alpha   76.764
_cell_angle_beta   76.764
_cell_angle_gamma   31.733
_symmetry_Int_Tables_number   1
_cell_volume   139.765
_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  0.997  0.997  0.005  1.0
  Mg  Mg1  1  0.331  0.331  0.335  1.0
  Mg  Mg2  1  0.946  0.946  0.605  1.0
  Mg  Mg3  1  0.669  0.669  0.669  1.0
  Mg  Mg4  1  0.280  0.280  0.943  1.0
  Sn  Sn5  1  0.611  0.611  0.277  1.0
[/CIF]
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The material structure described by Mg5Sn crystallizes in the monoclinic Cm space group. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 2-coordinate geometry to two equivalent Mg(2), three equivalent Mg(5), and two equivalent Sn(1) atoms. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to one Mg(5), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and three equivalent Sn(1) atoms. In the third Mg site, Mg(3) is bonded in a 2-coordinate geometry to two equivalent Mg(2), two equivalent Mg(5), and two equivalent Sn(1) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted single-bond geometry to two equivalent Mg(2), two equivalent Mg(5), and one Sn(1) atom. In the fifth Mg site, Mg(5) is bonded in a 12-coordinate geometry to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(5), three equivalent Mg(1), and two equivalent Sn(1) atoms. Sn(1) is bonded in a 10-coordinate geometry to one Mg(4), two equivalent Mg(1), two equivalent Mg(3), two equivalent Mg(5), and three equivalent Mg(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg5Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.183
_cell_length_b   6.183
_cell_length_c   7.157
_cell_angle_alpha   76.764
_cell_angle_beta   76.764
_cell_angle_gamma   31.733
_symmetry_Int_Tables_number   1
_cell_volume   139.765
_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  0.997  0.997  0.005  1.0
  Mg  Mg1  1  0.331  0.331  0.335  1.0
  Mg  Mg2  1  0.946  0.946  0.605  1.0
  Mg  Mg3  1  0.669  0.669  0.669  1.0
  Mg  Mg4  1  0.280  0.280  0.943  1.0
  Sn  Sn5  1  0.611  0.611  0.277  1.0
[/CIF]
.