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 5-coordinate geometry to one Sb(2), two equivalent Sb(1), and two equivalent Sb(3) atoms. In the second Mg site, Mg(2) is bonded in a 5-coordinate geometry to one Sb(3), two equivalent Sb(1), and two equivalent Sb(2) atoms. In the third Mg site, Mg(3) is bonded in a 6-coordinate geometry to one Sb(1), two equivalent Sb(3), and three equivalent Sb(2) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-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 6-coordinate geometry to one Mg(1), two equivalent Mg(2), and three equivalent Mg(3) atoms. In the third Sb site, Sb(3) is bonded in a 5-coordinate geometry to one Mg(2), two equivalent Mg(1), and two equivalent Mg(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.357
_cell_length_b   6.357
_cell_length_c   7.831
_cell_angle_alpha   73.599
_cell_angle_beta   73.599
_cell_angle_gamma   30.705
_symmetry_Int_Tables_number   1
_cell_volume   154.509
_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  0.613  0.613  0.265  1.0
  Mg  Mg1  1  0.336  0.336  0.322  1.0
  Mg  Mg2  1  0.935  0.935  0.648  1.0
  Sb  Sb3  1  0.010  0.010  0.031  1.0
  Sb  Sb4  1  0.668  0.668  0.593  1.0
  Sb  Sb5  1  0.272  0.272  0.975  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 5-coordinate geometry to one Sb(2), two equivalent Sb(1), and two equivalent Sb(3) atoms. In the second Mg site, Mg(2) is bonded in a 5-coordinate geometry to one Sb(3), two equivalent Sb(1), and two equivalent Sb(2) atoms. In the third Mg site, Mg(3) is bonded in a 6-coordinate geometry to one Sb(1), two equivalent Sb(3), and three equivalent Sb(2) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-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 6-coordinate geometry to one Mg(1), two equivalent Mg(2), and three equivalent Mg(3) atoms. In the third Sb site, Sb(3) is bonded in a 5-coordinate geometry to one Mg(2), two equivalent Mg(1), and two equivalent Mg(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.357
_cell_length_b   6.357
_cell_length_c   7.831
_cell_angle_alpha   73.599
_cell_angle_beta   73.599
_cell_angle_gamma   30.705
_symmetry_Int_Tables_number   1
_cell_volume   154.509
_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  0.613  0.613  0.265  1.0
  Mg  Mg1  1  0.336  0.336  0.322  1.0
  Mg  Mg2  1  0.935  0.935  0.648  1.0
  Sb  Sb3  1  0.010  0.010  0.031  1.0
  Sb  Sb4  1  0.668  0.668  0.593  1.0
  Sb  Sb5  1  0.272  0.272  0.975  1.0
[/CIF]
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