The crystal structure described by MgSb crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to two equivalent Mg(2), two equivalent Sb(1), and four equivalent Sb(2) atoms. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), four equivalent Mg(3), two equivalent Sb(1), and two equivalent Sb(3) atoms. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to four equivalent Mg(2), 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 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 two equivalent Mg(3) and four equivalent Mg(1) atoms. In the third Sb site, Sb(3) is bonded in a 4-coordinate geometry to two equivalent Mg(2) and two equivalent Mg(3) atoms. is represented by the CIF card [CIF]
data_MgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.764
_cell_length_b   8.764
_cell_length_c   5.454
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   158.647
_symmetry_Int_Tables_number   1
_cell_volume   152.518
_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  0.999  0.001  0.000  1.0
  Mg  Mg1  1  0.667  0.333  0.000  1.0
  Mg  Mg2  1  0.109  0.891  0.500  1.0
  Sb  Sb3  1  0.340  0.660  0.000  1.0
  Sb  Sb4  1  0.463  0.537  0.500  1.0
  Sb  Sb5  1  0.754  0.246  0.500  1.0
[/CIF]
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The crystal structure described by MgSb crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to two equivalent Mg(2), two equivalent Sb(1), and four equivalent Sb(2) atoms. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), four equivalent Mg(3), two equivalent Sb(1), and two equivalent Sb(3) atoms. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to four equivalent Mg(2), 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 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 two equivalent Mg(3) and four equivalent Mg(1) atoms. In the third Sb site, Sb(3) is bonded in a 4-coordinate geometry to two equivalent Mg(2) and two equivalent Mg(3) atoms. is represented by the CIF card [CIF]
data_MgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.764
_cell_length_b   8.764
_cell_length_c   5.454
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   158.647
_symmetry_Int_Tables_number   1
_cell_volume   152.518
_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  0.999  0.001  0.000  1.0
  Mg  Mg1  1  0.667  0.333  0.000  1.0
  Mg  Mg2  1  0.109  0.891  0.500  1.0
  Sb  Sb3  1  0.340  0.660  0.000  1.0
  Sb  Sb4  1  0.463  0.537  0.500  1.0
  Sb  Sb5  1  0.754  0.246  0.500  1.0
[/CIF]
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