The material structure described by Mg3Sb2 crystallizes in the cubic Ia-3 space group. Mg(1) is bonded to one Sb(1) and three equivalent Sb(2) atoms to form a mixture of edge and corner-sharing MgSb4 tetrahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to six equivalent Mg(1) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to six equivalent Mg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg3Sb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.522
_cell_length_b   11.522
_cell_length_c   11.522
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   1177.540
_cell_formula_units_Z   8
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  0.994  0.739  0.979  1.0
  Mg  Mg1  1  0.740  0.761  0.255  1.0
  Mg  Mg2  1  0.506  0.985  0.245  1.0
  Mg  Mg3  1  0.760  0.515  0.521  1.0
  Mg  Mg4  1  0.739  0.979  0.994  1.0
  Mg  Mg5  1  0.761  0.255  0.740  1.0
  Mg  Mg6  1  0.985  0.245  0.506  1.0
  Mg  Mg7  1  0.515  0.521  0.760  1.0
  Mg  Mg8  1  0.979  0.994  0.739  1.0
  Mg  Mg9  1  0.255  0.740  0.761  1.0
  Mg  Mg10  1  0.245  0.506  0.985  1.0
  Mg  Mg11  1  0.521  0.760  0.515  1.0
  Mg  Mg12  1  0.006  0.261  0.021  1.0
  Mg  Mg13  1  0.260  0.239  0.745  1.0
  Mg  Mg14  1  0.494  0.015  0.755  1.0
  Mg  Mg15  1  0.240  0.485  0.479  1.0
  Mg  Mg16  1  0.261  0.021  0.006  1.0
  Mg  Mg17  1  0.239  0.745  0.260  1.0
  Mg  Mg18  1  0.015  0.755  0.494  1.0
  Mg  Mg19  1  0.485  0.479  0.240  1.0
  Mg  Mg20  1  0.021  0.006  0.261  1.0
  Mg  Mg21  1  0.745  0.260  0.239  1.0
  Mg  Mg22  1  0.755  0.494  0.015  1.0
  Mg  Mg23  1  0.479  0.240  0.485  1.0
  Sb  Sb24  1  0.000  0.500  0.000  1.0
  Sb  Sb25  1  0.000  0.000  0.500  1.0
  Sb  Sb26  1  0.500  0.000  0.000  1.0
  Sb  Sb27  1  0.500  0.500  0.500  1.0
  Sb  Sb28  1  0.265  0.750  0.515  1.0
  Sb  Sb29  1  0.235  0.250  0.985  1.0
  Sb  Sb30  1  0.750  0.515  0.265  1.0
  Sb  Sb31  1  0.250  0.985  0.235  1.0
  Sb  Sb32  1  0.515  0.265  0.750  1.0
  Sb  Sb33  1  0.985  0.235  0.250  1.0
  Sb  Sb34  1  0.735  0.250  0.485  1.0
  Sb  Sb35  1  0.765  0.750  0.015  1.0
  Sb  Sb36  1  0.250  0.485  0.735  1.0
  Sb  Sb37  1  0.750  0.015  0.765  1.0
  Sb  Sb38  1  0.485  0.735  0.250  1.0
  Sb  Sb39  1  0.015  0.765  0.750  1.0
[/CIF]
.
The material structure described by Mg3Sb2 crystallizes in the cubic Ia-3 space group. Mg(1) is bonded to one Sb(1) and three equivalent Sb(2) atoms to form a mixture of edge and corner-sharing MgSb4 tetrahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to six equivalent Mg(1) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to six equivalent Mg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg3Sb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.522
_cell_length_b   11.522
_cell_length_c   11.522
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   1177.540
_cell_formula_units_Z   8
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  0.994  0.739  0.979  1.0
  Mg  Mg1  1  0.740  0.761  0.255  1.0
  Mg  Mg2  1  0.506  0.985  0.245  1.0
  Mg  Mg3  1  0.760  0.515  0.521  1.0
  Mg  Mg4  1  0.739  0.979  0.994  1.0
  Mg  Mg5  1  0.761  0.255  0.740  1.0
  Mg  Mg6  1  0.985  0.245  0.506  1.0
  Mg  Mg7  1  0.515  0.521  0.760  1.0
  Mg  Mg8  1  0.979  0.994  0.739  1.0
  Mg  Mg9  1  0.255  0.740  0.761  1.0
  Mg  Mg10  1  0.245  0.506  0.985  1.0
  Mg  Mg11  1  0.521  0.760  0.515  1.0
  Mg  Mg12  1  0.006  0.261  0.021  1.0
  Mg  Mg13  1  0.260  0.239  0.745  1.0
  Mg  Mg14  1  0.494  0.015  0.755  1.0
  Mg  Mg15  1  0.240  0.485  0.479  1.0
  Mg  Mg16  1  0.261  0.021  0.006  1.0
  Mg  Mg17  1  0.239  0.745  0.260  1.0
  Mg  Mg18  1  0.015  0.755  0.494  1.0
  Mg  Mg19  1  0.485  0.479  0.240  1.0
  Mg  Mg20  1  0.021  0.006  0.261  1.0
  Mg  Mg21  1  0.745  0.260  0.239  1.0
  Mg  Mg22  1  0.755  0.494  0.015  1.0
  Mg  Mg23  1  0.479  0.240  0.485  1.0
  Sb  Sb24  1  0.000  0.500  0.000  1.0
  Sb  Sb25  1  0.000  0.000  0.500  1.0
  Sb  Sb26  1  0.500  0.000  0.000  1.0
  Sb  Sb27  1  0.500  0.500  0.500  1.0
  Sb  Sb28  1  0.265  0.750  0.515  1.0
  Sb  Sb29  1  0.235  0.250  0.985  1.0
  Sb  Sb30  1  0.750  0.515  0.265  1.0
  Sb  Sb31  1  0.250  0.985  0.235  1.0
  Sb  Sb32  1  0.515  0.265  0.750  1.0
  Sb  Sb33  1  0.985  0.235  0.250  1.0
  Sb  Sb34  1  0.735  0.250  0.485  1.0
  Sb  Sb35  1  0.765  0.750  0.015  1.0
  Sb  Sb36  1  0.250  0.485  0.735  1.0
  Sb  Sb37  1  0.750  0.015  0.765  1.0
  Sb  Sb38  1  0.485  0.735  0.250  1.0
  Sb  Sb39  1  0.015  0.765  0.750  1.0
[/CIF]
.