The crystal structure described by MgSb crystallizes in the monoclinic Cm space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to one Mg(2), two equivalent Mg(1), two equivalent Mg(3), two equivalent Sb(1), and three equivalent Sb(3) atoms. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to one Mg(1), two equivalent Mg(2), three equivalent Mg(3), two equivalent Sb(1), two equivalent Sb(2), and two equivalent Sb(3) atoms. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(3), three equivalent Mg(2), one Sb(1), two equivalent Sb(2), and two equivalent Sb(3) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to one Mg(3), two equivalent Mg(1), and two equivalent Mg(2) atoms. In the second Sb site, Sb(2) is bonded in a 2-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), and one Sb(3) atom. In the third Sb site, Sb(3) is bonded in a 10-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), three equivalent Mg(1), one Sb(2), and two equivalent Sb(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.253
_cell_length_b   6.253
_cell_length_c   7.634
_cell_angle_alpha   81.088
_cell_angle_beta   81.088
_cell_angle_gamma   30.788
_symmetry_Int_Tables_number   1
_cell_volume   150.776
_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  0.030  0.030  0.981  1.0
  Mg  Mg1  1  0.951  0.951  0.618  1.0
  Mg  Mg2  1  0.678  0.678  0.667  1.0
  Sb  Sb3  1  0.554  0.554  0.306  1.0
  Sb  Sb4  1  0.302  0.302  0.356  1.0
  Sb  Sb5  1  0.318  0.318  0.905  1.0
[/CIF]
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The crystal structure described by MgSb crystallizes in the monoclinic Cm space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to one Mg(2), two equivalent Mg(1), two equivalent Mg(3), two equivalent Sb(1), and three equivalent Sb(3) atoms. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to one Mg(1), two equivalent Mg(2), three equivalent Mg(3), two equivalent Sb(1), two equivalent Sb(2), and two equivalent Sb(3) atoms. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(3), three equivalent Mg(2), one Sb(1), two equivalent Sb(2), and two equivalent Sb(3) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to one Mg(3), two equivalent Mg(1), and two equivalent Mg(2) atoms. In the second Sb site, Sb(2) is bonded in a 2-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), and one Sb(3) atom. In the third Sb site, Sb(3) is bonded in a 10-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), three equivalent Mg(1), one Sb(2), and two equivalent Sb(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.253
_cell_length_b   6.253
_cell_length_c   7.634
_cell_angle_alpha   81.088
_cell_angle_beta   81.088
_cell_angle_gamma   30.788
_symmetry_Int_Tables_number   1
_cell_volume   150.776
_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  0.030  0.030  0.981  1.0
  Mg  Mg1  1  0.951  0.951  0.618  1.0
  Mg  Mg2  1  0.678  0.678  0.667  1.0
  Sb  Sb3  1  0.554  0.554  0.306  1.0
  Sb  Sb4  1  0.302  0.302  0.356  1.0
  Sb  Sb5  1  0.318  0.318  0.905  1.0
[/CIF]
.