The crystal structure described by MgSb crystallizes in the monoclinic C2 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Sb(2) and six equivalent Sb(1) atoms to form a mixture of distorted corner and edge-sharing MgSb8 hexagonal bipyramids. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to two equivalent Sb(1) and two equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to two equivalent Mg(2) and three equivalent Mg(1) atoms. In the second Sb site, Sb(2) is bonded to two equivalent Mg(1) and four equivalent Mg(2) atoms to form distorted corner-sharing SbMg6 pentagonal pyramids. is represented by the CIF file [CIF]
data_MgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.496
_cell_length_b   5.496
_cell_length_c   5.754
_cell_angle_alpha   88.169
_cell_angle_beta   88.169
_cell_angle_gamma   62.665
_symmetry_Int_Tables_number   1
_cell_volume   154.310
_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  0.344  0.656  0.000  1.0
  Mg  Mg1  1  0.825  0.822  0.517  1.0
  Mg  Mg2  1  0.178  0.175  0.483  1.0
  Sb  Sb3  1  0.021  0.301  0.988  1.0
  Sb  Sb4  1  0.699  0.979  0.012  1.0
  Sb  Sb5  1  0.434  0.566  0.500  1.0
[/CIF]
.
The crystal structure described by MgSb crystallizes in the monoclinic C2 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Sb(2) and six equivalent Sb(1) atoms to form a mixture of distorted corner and edge-sharing MgSb8 hexagonal bipyramids. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to two equivalent Sb(1) and two equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to two equivalent Mg(2) and three equivalent Mg(1) atoms. In the second Sb site, Sb(2) is bonded to two equivalent Mg(1) and four equivalent Mg(2) atoms to form distorted corner-sharing SbMg6 pentagonal pyramids. is represented by the CIF file [CIF]
data_MgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.496
_cell_length_b   5.496
_cell_length_c   5.754
_cell_angle_alpha   88.169
_cell_angle_beta   88.169
_cell_angle_gamma   62.665
_symmetry_Int_Tables_number   1
_cell_volume   154.310
_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  0.344  0.656  0.000  1.0
  Mg  Mg1  1  0.825  0.822  0.517  1.0
  Mg  Mg2  1  0.178  0.175  0.483  1.0
  Sb  Sb3  1  0.021  0.301  0.988  1.0
  Sb  Sb4  1  0.699  0.979  0.012  1.0
  Sb  Sb5  1  0.434  0.566  0.500  1.0
[/CIF]
.