The material described by Mg2Sb crystallizes in the trigonal R32 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted water-like geometry to two equivalent Mg(2) and four equivalent Sb(1) atoms. In the second Mg site, Mg(2) is bonded to six equivalent Mg(1) and six equivalent Sb(1) atoms to form a mixture of distorted edge and corner-sharing MgMg6Sb6 cuboctahedra. Sb(1) is bonded in a 12-coordinate geometry to three equivalent Mg(2), six equivalent Mg(1), and three equivalent Sb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.232
_cell_length_b   6.232
_cell_length_c   6.232
_cell_angle_alpha   53.630
_cell_angle_beta   53.630
_cell_angle_gamma   53.630
_symmetry_Int_Tables_number   1
_cell_volume   145.631
_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  0.000  0.660  0.340  1.0
  Mg  Mg1  1  0.340  0.000  0.660  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  Mg  Mg3  1  0.660  0.340  0.000  1.0
  Sb  Sb4  1  0.151  0.151  0.151  1.0
  Sb  Sb5  1  0.849  0.849  0.849  1.0
[/CIF]
.
The material described by Mg2Sb crystallizes in the trigonal R32 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted water-like geometry to two equivalent Mg(2) and four equivalent Sb(1) atoms. In the second Mg site, Mg(2) is bonded to six equivalent Mg(1) and six equivalent Sb(1) atoms to form a mixture of distorted edge and corner-sharing MgMg6Sb6 cuboctahedra. Sb(1) is bonded in a 12-coordinate geometry to three equivalent Mg(2), six equivalent Mg(1), and three equivalent Sb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.232
_cell_length_b   6.232
_cell_length_c   6.232
_cell_angle_alpha   53.630
_cell_angle_beta   53.630
_cell_angle_gamma   53.630
_symmetry_Int_Tables_number   1
_cell_volume   145.631
_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  0.000  0.660  0.340  1.0
  Mg  Mg1  1  0.340  0.000  0.660  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  Mg  Mg3  1  0.660  0.340  0.000  1.0
  Sb  Sb4  1  0.151  0.151  0.151  1.0
  Sb  Sb5  1  0.849  0.849  0.849  1.0
[/CIF]
.